N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine
TL;DR: N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine (CAS 958960-92-4) is a chemical compound with molecular formula C13H17ClN2O4S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
Also Known As: N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine, (S)-2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoic acid, (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C13H17ClN2O4S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.05975 |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 958960-92-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)O)Cl |
| InChIKey | HEDUGSOPIMTAPF-JTQLQIEISA-N |
Product Overview
N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine (CAS 958960-92-4), with molecular formula C13H17ClN2O4S and molecular weight 332.06 g/mol. IUPAC: (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine
Property Insights of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine. Following Lipinski's Rule of Five, N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine has 3 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 N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine?
The CAS number of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine is 958960-92-4.
What is the molecular formula of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine?
The molecular formula of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine is C13H17ClN2O4S.
What is the molecular weight of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine?
The molecular weight of N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine is 332.06 g/mol.
Where can I buy N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine?
You can request a quote for N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.