Methyl thionohippurate
TL;DR: Methyl thionohippurate (CAS 2979-56-8) 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-[(2-methylbenzoyl)amino]ethanethioic S-acid
Also Known As: Nbgmte, Methyl thionohippurate, N-Benzoylglycine methylthio ester, KST-1A4090, [(2-methylbenzoyl)amino]ethanethioic s-acid
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2979-56-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCC(=O)S |
| InChIKey | JZMBKLDMLQKQMZ-UHFFFAOYSA-N |
Product Overview
Methyl thionohippurate (CAS 2979-56-8), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 2-[(2-methylbenzoyl)amino]ethanethioic S-acid.
Chemical Property Profile of Methyl thionohippurate
Property Insights of Methyl thionohippurate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl thionohippurate. With a topological polar surface area (TPSA) of 47.2 Ų, Methyl thionohippurate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl thionohippurate has 2 hydrogen bond donor(s) and 3 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 Methyl thionohippurate?
The CAS number of Methyl thionohippurate is 2979-56-8.
What is the molecular formula of Methyl thionohippurate?
The molecular formula of Methyl thionohippurate is C10H11NO2S.
What is the molecular weight of Methyl thionohippurate?
The molecular weight of Methyl thionohippurate is 209.05 g/mol.
Where can I buy Methyl thionohippurate?
You can request a quote for Methyl thionohippurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl thionohippurate?
Yes, KEHONG BIO provides custom synthesis services for Methyl thionohippurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.