3-(Phenylcarbamothioylamino)propanoic acid
TL;DR: 3-(Phenylcarbamothioylamino)propanoic acid (CAS 5540-73-8) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenylcarbamothioylamino)propanoic acid
Also Known As: 3-(phenylcarbamothioylamino)propanoic acid, 3-(phenylthiocarbamoylamino)propanoic acid, N-(Phenylcarbamothioyl)-beta-alanine, 1-(2-Carboxyethyl)-3-phenylthiourea, 3-[3-Phenylthioureido]propionic acid
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.4477 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 340.53543 |
Chemical Identifiers
| CAS Number | 5540-73-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCC(=O)O |
Product Overview
3-(Phenylcarbamothioylamino)propanoic acid (CAS 5540-73-8), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: 3-(phenylcarbamothioylamino)propanoic acid.
Chemical Property Profile of 3-(Phenylcarbamothioylamino)propanoic acid
Property Insights of 3-(Phenylcarbamothioylamino)propanoic acid
The XLogP value of 1.4477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylcarbamothioylamino)propanoic acid. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylcarbamothioylamino)propanoic acid. Following Lipinski's Rule of Five, 3-(Phenylcarbamothioylamino)propanoic acid has 3 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 3-(Phenylcarbamothioylamino)propanoic acid?
The CAS number of 3-(Phenylcarbamothioylamino)propanoic acid is 5540-73-8.
What is the molecular formula of 3-(Phenylcarbamothioylamino)propanoic acid?
The molecular formula of 3-(Phenylcarbamothioylamino)propanoic acid is C10H12N2O2S.
What is the molecular weight of 3-(Phenylcarbamothioylamino)propanoic acid?
The molecular weight of 3-(Phenylcarbamothioylamino)propanoic acid is 224.06 g/mol.
Where can I buy 3-(Phenylcarbamothioylamino)propanoic acid?
You can request a quote for 3-(Phenylcarbamothioylamino)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-(Phenylcarbamothioylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylcarbamothioylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.