![(3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid structure](/static/products/3317/331763-75-8.webp)
(3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
TL;DR: (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid (CAS 331763-75-8) is a chemical compound with molecular formula C15H20BrNO4 and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-(S)-3-Amino-4-(4-bromo-phenyl)-butyric acid, (S)-4-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid, Boc-b-HoPhe(4-Br)-OH, Boc-beta-HPhe(4-Br)-OH, Boc-?-Homophe(4-Br)-OH
| Molecular Formula | C15H20BrNO4 |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.3596 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.05756 |
| Heavy Atoms | 21 |
| Complexity | 493.39023 |
Chemical Identifiers
| CAS Number | 331763-75-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)CC(=O)O |
Product Overview
(3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid (CAS 331763-75-8), with molecular formula C15H20BrNO4 and molecular weight 357.06 g/mol. IUPAC: (3S)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
Property Insights of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
The XLogP value of 3.3596 indicates that (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid. Following Lipinski's Rule of Five, (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid 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 (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid?
The CAS number of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid is 331763-75-8.
What is the molecular formula of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid?
The molecular formula of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid is C15H20BrNO4.
What is the molecular weight of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid?
The molecular weight of (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid is 357.06 g/mol.
Where can I buy (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid?
You can request a quote for (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.