3-(N-Phenylthiocarbamoyl)-propanoic acid
TL;DR: 3-(N-Phenylthiocarbamoyl)-propanoic acid (CAS 54819-78-2) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenylcarbamoylsulfanyl)propanoic acid
Also Known As: 3-((Anilinocarbonyl)thio)propanoic acid, 3-(phenylcarbamoylsulfanyl)propanoic acid, 3-(N-Phenylthiocarbamoyl)-propanoic acid, NCI60_009489, 3-[(phenylcarbamoyl)sulfanyl]propanoic acid
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 54819-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)SCCC(=O)O |
| InChIKey | DCFLRUZDCOFBQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(N-Phenylthiocarbamoyl)-propanoic acid (CAS 54819-78-2), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 3-(phenylcarbamoylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(N-Phenylthiocarbamoyl)-propanoic acid
Property Insights of 3-(N-Phenylthiocarbamoyl)-propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-Phenylthiocarbamoyl)-propanoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-Phenylthiocarbamoyl)-propanoic acid. Following Lipinski's Rule of Five, 3-(N-Phenylthiocarbamoyl)-propanoic acid has 2 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 3-(N-Phenylthiocarbamoyl)-propanoic acid?
The CAS number of 3-(N-Phenylthiocarbamoyl)-propanoic acid is 54819-78-2.
What is the molecular formula of 3-(N-Phenylthiocarbamoyl)-propanoic acid?
The molecular formula of 3-(N-Phenylthiocarbamoyl)-propanoic acid is C10H11NO3S.
What is the molecular weight of 3-(N-Phenylthiocarbamoyl)-propanoic acid?
The molecular weight of 3-(N-Phenylthiocarbamoyl)-propanoic acid is 225.05 g/mol.
Where can I buy 3-(N-Phenylthiocarbamoyl)-propanoic acid?
You can request a quote for 3-(N-Phenylthiocarbamoyl)-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-Phenylthiocarbamoyl)-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Phenylthiocarbamoyl)-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.