beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
TL;DR: beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) (CAS 6381-63-1) is a chemical compound with molecular formula C18H32CaN2O10 and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate)
Also Known As: calcium pantothenate, Panthoject, Calpanate, Pantholin, Calpan
| Molecular Formula | C18H32CaN2O10 |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | -5.14 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 476.16827 |
| Heavy Atoms | 31 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 6381-63-1 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2] |
| InChIKey | FAPWYRCQGJNNSJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) (CAS 6381-63-1), with molecular formula C18H32CaN2O10 and molecular weight 476.17 g/mol. IUPAC: calcium bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate).
Chemical Property Profile of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
Property Insights of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
The XLogP value of -5.14 indicates that beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)?
The CAS number of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) is 6381-63-1.
What is the molecular formula of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)?
The molecular formula of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) is C18H32CaN2O10.
What is the molecular weight of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)?
The molecular weight of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) is 476.17 g/mol.
Where can I buy beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)?
You can request a quote for beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 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, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.