0083-0049 Screening compound: 4,6-di(tert-butyl)-2-ethyl-1,3,2lambda~5~-benzodioxaphosphol-2-one

0083-0049 Screening compound: 4,6-di(tert-butyl)-2-ethyl-1,3,2lambda~5~-benzodioxaphosphol-2-one
0083-0049 Screening compound: 4,6-di(tert-butyl)-2-ethyl-1,3,2lambda~5~-benzodioxaphosphol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0049
4,6-di(tert-butyl)-2-ethyl-1,3,2lambda~5~-benzodioxaphosphol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0083-0049

Molecular Formula

C16H25O3P (C16 H25 O3 P)

Compound Name

4,6-di(tert-butyl)-2-ethyl-1,3,2lambda~5~-benzodioxaphosphol-2-one

IUPAC name

46-di-tert-butyl-2-ethyl-2H-132lambda5-benzodioxaphosphol-2-one

SMILES

CCP1(Oc(c(C(C)(C)C)cc(C(C)(C)C)c2)c2O1)=O

InChI

InChI=1S/C16H25O3P/c1-8-20(17)18-13-10-11(15(2,3)4)9-12(14(13)19-20)16(5,6)7/h9-10H,8H2,1-7H3/t20-/m0/s1

InChI Key

DOOIFANCUKWVHF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00228057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.62

Polar Surface Area

29.054

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with 0083-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0049?
Check Price and Availability of 0083-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0083-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0049
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0083-0049 available by request