RefChem:897933
TL;DR: RefChem:897933 (CAS 34644-00-3) is a chemical compound with molecular formula C22H42CaN4O14S4 and molecular weight 754.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxo-1-[[3-oxo-3-(2-sulfonatosulfanylethylamino)propyl]amino]butane)
Also Known As: Panteteine S-sulfate calcium salt, Calcium D-pantetpheine-S-sulfonate, CALCIUM PANTETHEINE SULFONATE, Pantetheine-S-sulfonic acid calcium salt, Calcium-D-Pantetheine-S-Sulphonate
| Molecular Formula | C22H42CaN4O14S4 |
|---|---|
| Molecular Weight | 754.12 g/mol |
| LogP | -4.0174 |
| Topological Polar Surface Area | 379.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 754.1206 |
| Heavy Atoms | 45 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 34644-00-3 |
|---|---|
| SMILES | CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)[O-])O.[Ca+2] |
| InChIKey | CILGDYPFLJJNKT-NAWJVIAPSA-L |
Product Overview
RefChem:897933 (CAS 34644-00-3), with molecular formula C22H42CaN4O14S4 and molecular weight 754.12 g/mol. IUPAC: calcium bis((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxo-1-[[3-oxo-3-(2-sulfonatosulfanylethylamino)propyl]amino]butane).
Chemical Property Profile of RefChem:897933
Property Insights of RefChem:897933
The XLogP value of -4.0174 indicates that RefChem:897933 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 379.0 Ų indicates high polarity, suggesting RefChem:897933 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:897933 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:897933?
The CAS number of RefChem:897933 is 34644-00-3.
What is the molecular formula of RefChem:897933?
The molecular formula of RefChem:897933 is C22H42CaN4O14S4.
What is the molecular weight of RefChem:897933?
The molecular weight of RefChem:897933 is 754.12 g/mol.
Where can I buy RefChem:897933?
You can request a quote for RefChem:897933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:897933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:897933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.