Calcium 4-phospho-D-pantothenate
TL;DR: Calcium 4-phospho-D-pantothenate (CAS 42355-86-2) is a chemical compound with molecular formula C9H15CaNO8P- and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate
Also Known As: Calcium 4-phospho-D-pantothenate, Calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxy-butanoyl)amino]propanoate, calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate
| Molecular Formula | C9H15CaNO8P- |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | -3.9058 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.0161 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 42355-86-2 |
|---|---|
| SMILES | CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)[O-])O.[Ca+2] |
| InChIKey | GQSFAKGGGXTCJK-UHFFFAOYSA-K |
Product Overview
Calcium 4-phospho-D-pantothenate (CAS 42355-86-2), with molecular formula C9H15CaNO8P- and molecular weight 336.02 g/mol. IUPAC: calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate.
Chemical Property Profile of Calcium 4-phospho-D-pantothenate
Property Insights of Calcium 4-phospho-D-pantothenate
The XLogP value of -3.9058 indicates that Calcium 4-phospho-D-pantothenate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting Calcium 4-phospho-D-pantothenate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium 4-phospho-D-pantothenate has 2 hydrogen bond donor(s) and 8 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 Calcium 4-phospho-D-pantothenate?
The CAS number of Calcium 4-phospho-D-pantothenate is 42355-86-2.
What is the molecular formula of Calcium 4-phospho-D-pantothenate?
The molecular formula of Calcium 4-phospho-D-pantothenate is C9H15CaNO8P-.
What is the molecular weight of Calcium 4-phospho-D-pantothenate?
The molecular weight of Calcium 4-phospho-D-pantothenate is 336.02 g/mol.
Where can I buy Calcium 4-phospho-D-pantothenate?
You can request a quote for Calcium 4-phospho-D-pantothenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 4-phospho-D-pantothenate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 4-phospho-D-pantothenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.