N-benzothioylalanine
TL;DR: N-benzothioylalanine (CAS 2584-86-3) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenecarbonothioylamino)propanoic acid
Also Known As: N-benzothioylalanine, N-thiobenzoyl-DL-alanine, 2-phenylthioamidopropanoic acid, 2-(benzenecarbonothioylamino)propanoic acid, 2-[(phenylthioxomethyl)amino]propanoic acid
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.4248 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 337.23505 |
Chemical Identifiers
| CAS Number | 2584-86-3 |
|---|---|
| SMILES | CC(C(=O)O)NC(=S)C1=CC=CC=C1 |
Product Overview
N-benzothioylalanine (CAS 2584-86-3), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 2-(benzenecarbonothioylamino)propanoic acid.
Chemical Property Profile of N-benzothioylalanine
Property Insights of N-benzothioylalanine
The XLogP value of 1.4248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzothioylalanine. With a topological polar surface area (TPSA) of 49.33 Ų, N-benzothioylalanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzothioylalanine has 2 hydrogen bond donor(s) and 2 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 N-benzothioylalanine?
The CAS number of N-benzothioylalanine is 2584-86-3.
What is the molecular formula of N-benzothioylalanine?
The molecular formula of N-benzothioylalanine is C10H11NO2S.
What is the molecular weight of N-benzothioylalanine?
The molecular weight of N-benzothioylalanine is 209.05 g/mol.
Where can I buy N-benzothioylalanine?
You can request a quote for N-benzothioylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzothioylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-benzothioylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.