Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid
TL;DR: Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid (CAS 269396-65-8) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-3-ylbutanoic acid
Also Known As: Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid, Boc-(3-pyridyl)-L-beta-homoalanine, Boc-Ala(3-Pyri)-(C#CH2)OH, 7089AD, BOC-(3-PYRIDYL)-L-B-HOMOALANINE
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.9921 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 453.99176 |
Chemical Identifiers
| CAS Number | 269396-65-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CN=CC=C1)CC(=O)O |
Product Overview
Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid (CAS 269396-65-8), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-3-ylbutanoic acid.
Chemical Property Profile of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid
Property Insights of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid
The XLogP value of 1.9921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid. Following Lipinski's Rule of Five, Boc-(S)-3-amino-4-(3-pyridyl)-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-pyridyl)-butyric acid?
The CAS number of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid is 269396-65-8.
What is the molecular formula of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid?
The molecular formula of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid is C14H20N2O4.
What is the molecular weight of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid?
The molecular weight of Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid is 280.14 g/mol.
Where can I buy Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid?
You can request a quote for Boc-(S)-3-amino-4-(3-pyridyl)-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-pyridyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-3-amino-4-(3-pyridyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.