Calcium 4-phosphopantothenate
TL;DR: Calcium 4-phosphopantothenate (CAS 55816-28-9) is a chemical compound with molecular formula C9H16CaNO8P and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 3-[[(2R)-2-hydroxy-4-[hydroxy(oxido)phosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoate
Also Known As: Calcium 4-phosphopantothenate, beta-Alanine, N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonoxy)butyl)-, calcium salt (1:1), (R)-, Calcium 3-{(2R)-2-hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-dimethylbutanamido}propanoate, calcium 3-[[(2R)-2-hydroxy-4-(hydroxy-oxido-phosphoryl)oxy-3,3-dimethyl-butanoyl]amino]propanoate, calcium 3-[[(2R)-2-hydroxy-4-[hydroxy(oxido)phosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoate
| Molecular Formula | C9H16CaNO8P |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | -3.27 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.02396 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 55816-28-9 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2] |
| InChIKey | GQSFAKGGGXTCJK-FJXQXJEOSA-L |
Product Overview
Calcium 4-phosphopantothenate (CAS 55816-28-9), with molecular formula C9H16CaNO8P and molecular weight 337.02 g/mol. IUPAC: calcium 3-[[(2R)-2-hydroxy-4-[hydroxy(oxido)phosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoate.
Chemical Property Profile of Calcium 4-phosphopantothenate
Property Insights of Calcium 4-phosphopantothenate
The XLogP value of -3.27 indicates that Calcium 4-phosphopantothenate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Calcium 4-phosphopantothenate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium 4-phosphopantothenate has 3 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-phosphopantothenate?
The CAS number of Calcium 4-phosphopantothenate is 55816-28-9.
What is the molecular formula of Calcium 4-phosphopantothenate?
The molecular formula of Calcium 4-phosphopantothenate is C9H16CaNO8P.
What is the molecular weight of Calcium 4-phosphopantothenate?
The molecular weight of Calcium 4-phosphopantothenate is 337.02 g/mol.
Where can I buy Calcium 4-phosphopantothenate?
You can request a quote for Calcium 4-phosphopantothenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 4-phosphopantothenate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 4-phosphopantothenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.