3-((4-Toluidinocarbonyl)thio)propanoic acid
TL;DR: 3-((4-Toluidinocarbonyl)thio)propanoic acid (CAS 78614-13-8) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)carbamoylsulfanyl]propanoic acid
Also Known As: 3-((4-Toluidinocarbonyl)thio)propanoic acid, 3-p-tolylcarbamoylsulfanyl-propionic acid, NCI60_009500, 3-(p-tolylcarbamoylsulfanyl)propanoic acid, 3-[N-4-Methylphenylthiocarbamoyl)]-propanoic acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 78614-13-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)SCCC(=O)O |
| InChIKey | YWDRFDKLIWCOPF-UHFFFAOYSA-N |
Product Overview
3-((4-Toluidinocarbonyl)thio)propanoic acid (CAS 78614-13-8), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 3-[(4-methylphenyl)carbamoylsulfanyl]propanoic acid.
Chemical Property Profile of 3-((4-Toluidinocarbonyl)thio)propanoic acid
Property Insights of 3-((4-Toluidinocarbonyl)thio)propanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Toluidinocarbonyl)thio)propanoic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Toluidinocarbonyl)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((4-Toluidinocarbonyl)thio)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-((4-Toluidinocarbonyl)thio)propanoic acid?
The CAS number of 3-((4-Toluidinocarbonyl)thio)propanoic acid is 78614-13-8.
What is the molecular formula of 3-((4-Toluidinocarbonyl)thio)propanoic acid?
The molecular formula of 3-((4-Toluidinocarbonyl)thio)propanoic acid is C11H13NO3S.
What is the molecular weight of 3-((4-Toluidinocarbonyl)thio)propanoic acid?
The molecular weight of 3-((4-Toluidinocarbonyl)thio)propanoic acid is 239.06 g/mol.
Where can I buy 3-((4-Toluidinocarbonyl)thio)propanoic acid?
You can request a quote for 3-((4-Toluidinocarbonyl)thio)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-((4-Toluidinocarbonyl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Toluidinocarbonyl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.