Calcium 3,3'-thiobispropionate
TL;DR: Calcium 3,3'-thiobispropionate (CAS 67151-67-1) is a chemical compound with molecular formula C6H8CaO4S and molecular weight 215.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 3-(2-carboxylatoethylsulfanyl)propanoate
Also Known As: Calcium 3,3'-thiobispropionate, Calcium 3,3-thiobispropionate, calcium3,3'-thiobispropionate, calcium 3,3'-sulfanediyldipropanoate, calcium 3-(3-oxido-3-oxopropyl)sulfanylpropanoate
| Molecular Formula | C6H8CaO4S |
|---|---|
| Molecular Weight | 215.98 g/mol |
| LogP | -2.38 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.97691 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 67151-67-1 |
|---|---|
| SMILES | C(CSCCC(=O)[O-])C(=O)[O-].[Ca+2] |
| InChIKey | IIPIUKIMHUHAEW-UHFFFAOYSA-L |
Product Overview
Calcium 3,3'-thiobispropionate (CAS 67151-67-1), with molecular formula C6H8CaO4S and molecular weight 215.98 g/mol. IUPAC: calcium 3-(2-carboxylatoethylsulfanyl)propanoate.
Chemical Property Profile of Calcium 3,3'-thiobispropionate
Property Insights of Calcium 3,3'-thiobispropionate
The XLogP value of -2.38 indicates that Calcium 3,3'-thiobispropionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 3,3'-thiobispropionate. Following Lipinski's Rule of Five, Calcium 3,3'-thiobispropionate has 0 hydrogen bond donor(s) and 5 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 3,3'-thiobispropionate?
The CAS number of Calcium 3,3'-thiobispropionate is 67151-67-1.
What is the molecular formula of Calcium 3,3'-thiobispropionate?
The molecular formula of Calcium 3,3'-thiobispropionate is C6H8CaO4S.
What is the molecular weight of Calcium 3,3'-thiobispropionate?
The molecular weight of Calcium 3,3'-thiobispropionate is 215.98 g/mol.
Where can I buy Calcium 3,3'-thiobispropionate?
You can request a quote for Calcium 3,3'-thiobispropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 3,3'-thiobispropionate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 3,3'-thiobispropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.