Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate
TL;DR: Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate (CAS 63233-97-6) is a chemical compound with molecular formula C9H19O5PS2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-diethoxyphosphorylsulfanylethylsulfanyl)acetate
Also Known As: Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate, 2-((2-Mercaptoethyl)thio)acetic acid methyl ester S-ester with diethyl phosphorothioate, 3-Oxa-5,8-dithia-4-phosphadecan-10-oic acid, 4-ethoxy-, methyl ester, 4-oxide, methyl 2-(2-diethoxyphosphorylsulfanylethylsulfanyl)acetate, [2-[(Diethoxyphosphinoyl)thio]ethylthio]acetic acid methyl ester
| Molecular Formula | C9H19O5PS2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 2.8069 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.04117 |
| Heavy Atoms | 17 |
| Complexity | 251.77077 |
Chemical Identifiers
| CAS Number | 63233-97-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCSCC(=O)OC |
Product Overview
Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate (CAS 63233-97-6), with molecular formula C9H19O5PS2 and molecular weight 302.04 g/mol. IUPAC: methyl 2-(2-diethoxyphosphorylsulfanylethylsulfanyl)acetate.
Chemical Property Profile of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate
Property Insights of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate
The XLogP value of 2.8069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate. Following Lipinski's Rule of Five, Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate has 0 hydrogen bond donor(s) and 7 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 Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate?
The CAS number of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate is 63233-97-6.
What is the molecular formula of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate?
The molecular formula of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate is C9H19O5PS2.
What is the molecular weight of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate?
The molecular weight of Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate is 302.04 g/mol.
Where can I buy Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate?
You can request a quote for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((2-mercaptoethyl)thio)-, methyl ester, S-ester with diethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.