Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester
TL;DR: Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester (CAS 70858-13-8) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-4-ethenylsulfanylbutanoate
Also Known As: N-Acetyl-vinthionine methyl ester, methyl 2-acetamido-4-ethenylsulfanylbutanoate, BUTYRIC ACID, 2-ACETAMIDO-4-(VINYLTHIO)-, METHYL ESTER, methyl 2-acetamido-4-(ethenylsulfanyl)butanoate, 2-Acetylamino-4-(vinylthio)butyric acid methyl ester
| Molecular Formula | C9H15NO3S |
|---|---|
| Molecular Weight | 217.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 217.07727 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 70858-13-8 |
|---|---|
| SMILES | CC(=O)NC(CCSC=C)C(=O)OC |
| InChIKey | LOFRWJRASHDMHO-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester (CAS 70858-13-8), with molecular formula C9H15NO3S and molecular weight 217.08 g/mol. IUPAC: methyl 2-acetamido-4-ethenylsulfanylbutanoate.
Chemical Property Profile of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester
Property Insights of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester. Following Lipinski's Rule of Five, Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester has 1 hydrogen bond donor(s) and 4 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 Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester?
The CAS number of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester is 70858-13-8.
What is the molecular formula of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester?
The molecular formula of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester is C9H15NO3S.
What is the molecular weight of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester?
The molecular weight of Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester is 217.08 g/mol.
Where can I buy Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester?
You can request a quote for Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-acetamido-4-(vinylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.