beta-Alanine, Calcium Salt (2:1)
TL;DR: beta-Alanine, Calcium Salt (2:1) (CAS 37630-47-0) is a chemical compound with molecular formula C6H12CaN2O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-aminopropanoate)
Also Known As: calcium beta-alaninate, Calcium beta-alanate, Calcium di-beta-alaninate, calcium;3-aminopropanoate, calciumdi-beta-alaninate
| Molecular Formula | C6H12CaN2O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | -4.2106 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0423 |
| Heavy Atoms | 13 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 37630-47-0 |
|---|---|
| SMILES | C(CN)C(=O)[O-].C(CN)C(=O)[O-].[Ca+2] |
| InChIKey | QRTVQUYKMVAQBJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, Calcium Salt (2:1) (CAS 37630-47-0), with molecular formula C6H12CaN2O4 and molecular weight 216.04 g/mol. IUPAC: calcium bis(3-aminopropanoate).
Chemical Property Profile of beta-Alanine, Calcium Salt (2:1)
Property Insights of beta-Alanine, Calcium Salt (2:1)
The XLogP value of -4.2106 indicates that beta-Alanine, Calcium Salt (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, Calcium Salt (2:1). Following Lipinski's Rule of Five, beta-Alanine, Calcium Salt (2:1) has 2 hydrogen bond donor(s) and 6 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-Alanine, Calcium Salt (2:1)?
The CAS number of beta-Alanine, Calcium Salt (2:1) is 37630-47-0.
What is the molecular formula of beta-Alanine, Calcium Salt (2:1)?
The molecular formula of beta-Alanine, Calcium Salt (2:1) is C6H12CaN2O4.
What is the molecular weight of beta-Alanine, Calcium Salt (2:1)?
The molecular weight of beta-Alanine, Calcium Salt (2:1) is 216.04 g/mol.
Where can I buy beta-Alanine, Calcium Salt (2:1)?
You can request a quote for beta-Alanine, Calcium Salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, Calcium Salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, Calcium Salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.