![2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid structure](/static/products/2981/29817-72-9.webp)
2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid
TL;DR: 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid (CAS 29817-72-9) is a chemical compound with molecular formula C13H15NO5S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-carboxy-3-methylsulfanylpropyl)carbamoyl]benzoic acid
Also Known As: Pht-Met-OH, 2-{[1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}benzoic acid, 2-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid, 2-(((1-Carboxy-3-(methylthio)propyl)amino)carbonyl)benzoic acid, 2-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]benzoic acid
| Molecular Formula | C13H15NO5S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.0671 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 29817-72-9 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | HNAFCJCVJBGFFO-UHFFFAOYSA-N |
Product Overview
2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid (CAS 29817-72-9), with molecular formula C13H15NO5S and molecular weight 297.07 g/mol. IUPAC: 2-[(1-carboxy-3-methylsulfanylpropyl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid
Property Insights of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid has 3 hydrogen bond donor(s) and 6 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 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid?
The CAS number of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid is 29817-72-9.
What is the molecular formula of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid?
The molecular formula of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid is C13H15NO5S.
What is the molecular weight of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid?
The molecular weight of 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid is 297.07 g/mol.
Where can I buy 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid?
You can request a quote for 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.