Boc-beta-cyano-L-alanine
TL;DR: Boc-beta-cyano-L-alanine (CAS 229028-67-5) is a chemical compound with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-beta-cyano-L-alanine, Boc-Beta-Cyano-Ala-Oh, (S)-2-((tert-Butoxycarbonyl)amino)-3-cyanopropanoic acid, Boc-b-cyano-Ala-OH, Boc--cyano-Ala-OH
| Molecular Formula | C9H14N2O4 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 0.87798 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.09535 |
| Heavy Atoms | 15 |
| Complexity | 287.46793 |
Chemical Identifiers
| CAS Number | 229028-67-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)O |
Product Overview
Boc-beta-cyano-L-alanine (CAS 229028-67-5), with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol. IUPAC: (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of Boc-beta-cyano-L-alanine
Property Insights of Boc-beta-cyano-L-alanine
The XLogP value of 0.87798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-beta-cyano-L-alanine. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-beta-cyano-L-alanine. Following Lipinski's Rule of Five, Boc-beta-cyano-L-alanine 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-beta-cyano-L-alanine?
The CAS number of Boc-beta-cyano-L-alanine is 229028-67-5.
What is the molecular formula of Boc-beta-cyano-L-alanine?
The molecular formula of Boc-beta-cyano-L-alanine is C9H14N2O4.
What is the molecular weight of Boc-beta-cyano-L-alanine?
The molecular weight of Boc-beta-cyano-L-alanine is 214.10 g/mol.
Where can I buy Boc-beta-cyano-L-alanine?
You can request a quote for Boc-beta-cyano-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-beta-cyano-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for Boc-beta-cyano-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.