RefChem:370693
TL;DR: RefChem:370693 (CAS 426-66-4) is a chemical compound with molecular formula C9H10ClN2O3PS2 and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Also Known As: s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl methylphosphonodithioate, Phosphonodithioic acid, methyl-, O-methyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one, 6-chloro-3-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one, BRN 1084269, RefChem:370693
| Molecular Formula | C9H10ClN2O3PS2 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.9559 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 426-66-4 |
|---|---|
| SMILES | COP(=S)(C)SCN1C2=C(C=C(C=N2)Cl)OC1=O |
| InChIKey | BTIFCTVFOJKHRM-UHFFFAOYSA-N |
Product Overview
RefChem:370693 (CAS 426-66-4), with molecular formula C9H10ClN2O3PS2 and molecular weight 323.96 g/mol. IUPAC: 6-chloro-3-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
Chemical Property Profile of RefChem:370693
Property Insights of RefChem:370693
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:370693. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:370693. Following Lipinski's Rule of Five, RefChem:370693 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:370693?
The CAS number of RefChem:370693 is 426-66-4.
What is the molecular formula of RefChem:370693?
The molecular formula of RefChem:370693 is C9H10ClN2O3PS2.
What is the molecular weight of RefChem:370693?
The molecular weight of RefChem:370693 is 323.96 g/mol.
Where can I buy RefChem:370693?
You can request a quote for RefChem:370693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:370693?
Yes, KEHONG BIO provides custom synthesis services for RefChem:370693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.