xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt
TL;DR: xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt (CAS 64038-47-7) is a chemical compound with molecular formula C14H22CaO6S4 and molecular weight 453.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-butoxycarbothioylsulfanylacetate)
Also Known As: Xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt, calcium 2-butoxycarbothioylsulfanylacetate, Acetic acid, ((butoxythioxomethyl)thio)-, calcium salt, Calcium bis{[(butoxycarbonothioyl)sulfanyl]acetate}, Acetic acid, [(butoxythioxomethyl)thio]-, calcium salt
| Molecular Formula | C14H22CaO6S4 |
|---|---|
| Molecular Weight | 453.99 g/mol |
| LogP | 0.7614 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.99252 |
| Heavy Atoms | 25 |
| Complexity | 359.51825 |
Chemical Identifiers
| CAS Number | 64038-47-7 |
|---|---|
| SMILES | CCCCOC(=S)SCC(=O)[O-].CCCCOC(=S)SCC(=O)[O-].[Ca+2] |
Product Overview
xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt (CAS 64038-47-7), with molecular formula C14H22CaO6S4 and molecular weight 453.99 g/mol. IUPAC: calcium bis(2-butoxycarbothioylsulfanylacetate).
Chemical Property Profile of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt
Property Insights of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt
The XLogP value of 0.7614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt. Following Lipinski's Rule of Five, xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt has 0 hydrogen bond donor(s) and 10 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 xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt?
The CAS number of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt is 64038-47-7.
What is the molecular formula of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt?
The molecular formula of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt is C14H22CaO6S4.
What is the molecular weight of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt?
The molecular weight of xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt is 453.99 g/mol.
Where can I buy xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt?
You can request a quote for xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for xanthic acid, butyl-, ester with mercaptoacetic acid, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.