![(S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester structure](/static/products/955/955972-65-3.png)
(S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
TL;DR: (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester (CAS 955972-65-3) is a chemical compound with molecular formula C14H19BrN2O3 and molecular weight 342.06 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-methylpentanoate
Also Known As: methyl N-[(3-bromophenyl)carbamoyl]-L-leucinate, (S)-methyl 2-(3-(3-bromophenyl)ureido)-4-methylpentanoate, methyl (2S)-2-[(3-bromophenyl)carbamoylamino]-4-methylpentanoate, (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
| Molecular Formula | C14H19BrN2O3 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 3.1583 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.05792 |
| Heavy Atoms | 20 |
| Complexity | 477.24176 |
Chemical Identifiers
| CAS Number | 955972-65-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC(=CC=C1)Br |
Product Overview
(S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester (CAS 955972-65-3), with molecular formula C14H19BrN2O3 and molecular weight 342.06 g/mol. IUPAC: methyl (2S)-2-[(3-bromophenyl)carbamoylamino]-4-methylpentanoate.
Chemical Property Profile of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
Property Insights of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester
The XLogP value of 3.1583 indicates that (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-methyl-pentanoic acid methyl ester. Following Lipinski's Rule of Five, (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester has 2 hydrogen bond donor(s) and 3 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-methyl-pentanoic acid methyl ester?
The CAS number of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester is 955972-65-3.
What is the molecular formula of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester?
The molecular formula of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester is C14H19BrN2O3.
What is the molecular weight of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester?
The molecular weight of (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester is 342.06 g/mol.
Where can I buy (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester?
You can request a quote for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic 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-methyl-pentanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(3-Bromo-phenyl)-ureido]-4-methyl-pentanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.