beta-Cyanoalanine
TL;DR: beta-Cyanoalanine (CAS 923-01-3) is a chemical compound with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-cyanopropanoic acid
Also Known As: 3-Cyanoalanine, beta-Cyanoalanine, 2-amino-3-cyanopropanoic acid, beta-Cyanolalanine, cyanoalanine
| Molecular Formula | C4H6N2O2 |
|---|---|
| Molecular Weight | 114.04 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.04293 |
| Heavy Atoms | 8 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 923-01-3 |
|---|---|
| SMILES | C(C#N)C(C(=O)O)N |
| InChIKey | BXRLWGXPSRYJDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Cyanoalanine (CAS 923-01-3), with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol. IUPAC: 2-amino-3-cyanopropanoic acid.
Chemical Property Profile of beta-Cyanoalanine
Property Insights of beta-Cyanoalanine
The XLogP value of -3.7 indicates that beta-Cyanoalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Cyanoalanine. Following Lipinski's Rule of Five, beta-Cyanoalanine 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 beta-Cyanoalanine?
The CAS number of beta-Cyanoalanine is 923-01-3.
What is the molecular formula of beta-Cyanoalanine?
The molecular formula of beta-Cyanoalanine is C4H6N2O2.
What is the molecular weight of beta-Cyanoalanine?
The molecular weight of beta-Cyanoalanine is 114.04 g/mol.
Where can I buy beta-Cyanoalanine?
You can request a quote for beta-Cyanoalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Cyanoalanine?
Yes, KEHONG BIO provides custom synthesis services for beta-Cyanoalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.