Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid
TL;DR: Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid (CAS 218608-93-6) 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-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid, Boc-beta-HPhe(2-Cl)-OH, Boc-(S)-3-Amino-4-(2-chloro-phenyl)-butyric acid, Boc-?-Homophe(2-Cl)-OH, Boc-
| 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 | 218608-93-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1Cl)CC(=O)O |
Product Overview
Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid (CAS 218608-93-6), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: (3S)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid
Property Insights of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid
The XLogP value of 3.2505 indicates that Boc-(S)-3-Amino-4-(2-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 Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid. Following Lipinski's Rule of Five, Boc-(S)-3-Amino-4-(2-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 Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid?
The CAS number of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid is 218608-93-6.
What is the molecular formula of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid?
The molecular formula of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid is C15H20ClNO4.
What is the molecular weight of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid?
The molecular weight of Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid is 313.11 g/mol.
Where can I buy Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid?
You can request a quote for Boc-(S)-3-Amino-4-(2-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 Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.