![(S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester structure](/static/products/956/956743-14-9.png)
(S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
TL;DR: (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester (CAS 956743-14-9) is a chemical compound with molecular formula C13H17BrN2O3S and molecular weight 360.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoate
Also Known As: methyl N-[(3-bromophenyl)carbamoyl]-L-methioninate, (S)-methyl 2-(3-(3-bromophenyl)ureido)-4-(methylthio)butanoate, methyl (2S)-2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoate, (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
| Molecular Formula | C13H17BrN2O3S |
|---|---|
| Molecular Weight | 360.01 g/mol |
| LogP | 2.8653 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.01434 |
| Heavy Atoms | 20 |
| Complexity | 470.68442 |
Chemical Identifiers
| CAS Number | 956743-14-9 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)NC1=CC(=CC=C1)Br |
Product Overview
(S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester (CAS 956743-14-9), with molecular formula C13H17BrN2O3S and molecular weight 360.01 g/mol. IUPAC: methyl (2S)-2-[(3-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
Property Insights of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
The XLogP value of 2.8653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester. Following Lipinski's Rule of Five, (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester 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 (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
The CAS number of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester is 956743-14-9.
What is the molecular formula of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
The molecular formula of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester is C13H17BrN2O3S.
What is the molecular weight of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
The molecular weight of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester is 360.01 g/mol.
Where can I buy (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
You can request a quote for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.