(3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid
TL;DR: (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid (CAS 89767-59-9) is a chemical compound with molecular formula C14H15NO6S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid
Also Known As: Salmisteine, (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid, (3S)-3-Acetamido-3-{[2-(acetyloxy)benzoyl]sulfanyl}propanoic acid
| Molecular Formula | C14H15NO6S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 1.4222 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.062 |
| Heavy Atoms | 22 |
| Complexity | 584.7508 |
Chemical Identifiers
| CAS Number | 89767-59-9 |
|---|---|
| SMILES | CC(=O)N[C@H](CC(=O)O)SC(=O)C1=CC=CC=C1OC(=O)C |
Product Overview
(3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid (CAS 89767-59-9), with molecular formula C14H15NO6S and molecular weight 325.06 g/mol. IUPAC: (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid.
Chemical Property Profile of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid
Property Insights of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid
The XLogP value of 1.4222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid. Following Lipinski's Rule of Five, (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid has 2 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 (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid?
The CAS number of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid is 89767-59-9.
What is the molecular formula of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid?
The molecular formula of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid is C14H15NO6S.
What is the molecular weight of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid?
The molecular weight of (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid is 325.06 g/mol.
Where can I buy (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid?
You can request a quote for (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.