(S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid
TL;DR: (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid (CAS 331763-56-5) is a chemical compound with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: (S)-3-((tert-Butoxycarbonyl)amino)-4-(3-chlorophenyl)butanoic acid, Boc-(S)-3-Amino-4-(3-chloro-phenyl)-butyric acid, Boc-beta-HPhe(3-Cl)-OH, Boc-, A-HoPhe(3-Cl)-OH
| Molecular Formula | C15H20ClNO4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 3.2505 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1081 |
| Heavy Atoms | 21 |
| Complexity | 510.64023 |
Chemical Identifiers
| CAS Number | 331763-56-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)Cl)CC(=O)O |
Product Overview
(S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid (CAS 331763-56-5), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: (3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid
Property Insights of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid
The XLogP value of 3.2505 indicates that (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric 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 (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid. Following Lipinski's Rule of Five, (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric 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 (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid?
The CAS number of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid is 331763-56-5.
What is the molecular formula of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid?
The molecular formula of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid is C15H20ClNO4.
What is the molecular weight of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid?
The molecular weight of (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid is 313.11 g/mol.
Where can I buy (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid?
You can request a quote for (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(Boc-amino)-4-(3-chlorophenyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.