Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
TL;DR: Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid (CAS 269396-51-2) is a chemical compound with molecular formula C27H23NO4S and molecular weight 457.13 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-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Also Known As: Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(benzo[b]thiophen-3-yl)butanoic acid, Fmoc-Ala(3-Bzt)-(C#CH2)OH, Fmoc-beta-HAla(3-benzothienyl)-OH, Fmoc-?-Homoala(3-benzothienyl)-OH
| Molecular Formula | C27H23NO4S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 5.8258 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.13477 |
| Heavy Atoms | 33 |
| Complexity | 1282.9678 |
Chemical Identifiers
| CAS Number | 269396-51-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CSC5=CC=CC=C54)CC(=O)O |
Product Overview
Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid (CAS 269396-51-2), with molecular formula C27H23NO4S and molecular weight 457.13 g/mol. IUPAC: (3S)-4-(1-benzothiophen-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
Property Insights of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
The XLogP value of 5.8258 indicates that Fmoc-(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 Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid. Following Lipinski's Rule of Five, Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
The CAS number of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid is 269396-51-2.
What is the molecular formula of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
The molecular formula of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid is C27H23NO4S.
What is the molecular weight of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
The molecular weight of Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid is 457.13 g/mol.
Where can I buy Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
You can request a quote for Fmoc-(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 Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.