Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
TL;DR: Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid (CAS 190190-48-8) is a chemical compound with molecular formula C17H21NO4S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid, (S)-4-(benzo[b]thiophen-3-yl)-3-((tert-butoxycarbonyl)amino)butanoic acid, Boc-Ala(3-Bzt)-(C#CH2)OH, Boc-, A-HoAla(3-benzothienyl)-OH
| Molecular Formula | C17H21NO4S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.8118 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.11914 |
| Heavy Atoms | 23 |
| Complexity | 701.92645 |
Chemical Identifiers
| CAS Number | 190190-48-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CSC2=CC=CC=C21)CC(=O)O |
Product Overview
Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid (CAS 190190-48-8), with molecular formula C17H21NO4S and molecular weight 335.12 g/mol. IUPAC: (3S)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
Property Insights of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
The XLogP value of 3.8118 indicates that Boc-(S)-3-Amino-4-(3-benzothienyl)-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-(3-benzothienyl)-butyric acid. Following Lipinski's Rule of Five, Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid 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 Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
The CAS number of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid is 190190-48-8.
What is the molecular formula of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
The molecular formula of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid is C17H21NO4S.
What is the molecular weight of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
The molecular weight of Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid is 335.12 g/mol.
Where can I buy Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
You can request a quote for Boc-(S)-3-Amino-4-(3-benzothienyl)-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-(3-benzothienyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.