Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid
TL;DR: Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid (CAS 7596-93-2) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid
Also Known As: benzyl carbamimidothioate,2-hydroxy-2-phenylacetic acid, benzyl carbamimidothioate; 2-hydroxy-2-phenylacetic acid, Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid, Hydroxy(phenyl)acetic acid--benzyl carbamimidothioate (1/1), 2-hydroxy-2-phenylacetic acid; phenylmethylsulfanylmethanimidamide
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.61787 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 7596-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=N)N.C1=CC=C(C=C1)C(C(=O)O)O |
| InChIKey | SCLZSXXPIUZVRC-UHFFFAOYSA-N |
Product Overview
Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid (CAS 7596-93-2), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid.
Chemical Property Profile of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid
Property Insights of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid
The XLogP value of 2.61787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid. Following Lipinski's Rule of Five, Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid has 4 hydrogen bond donor(s) and 5 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 Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid?
The CAS number of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid is 7596-93-2.
What is the molecular formula of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid?
The molecular formula of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid is C16H18N2O3S.
What is the molecular weight of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid?
The molecular weight of Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid is 318.10 g/mol.
Where can I buy Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid?
You can request a quote for Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.