Calcium p-toluenesulphonate
TL;DR: Calcium p-toluenesulphonate (CAS 36747-44-1) is a chemical compound with molecular formula C14H14CaO6S2 and molecular weight 381.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-methylbenzenesulfonate)
Also Known As: Calcium p-toluenesulphonate, calcium paratoluenesulfonate, EINECS 253-183-6, CALCIUM P-TOLUENESULFONATE, C7H8O3S.1/2Ca
| Molecular Formula | C14H14CaO6S2 |
|---|---|
| Molecular Weight | 381.99 g/mol |
| LogP | 1.41744 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.98578 |
| Heavy Atoms | 23 |
| Complexity | 752.3412 |
Chemical Identifiers
| CAS Number | 36747-44-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Ca+2] |
Product Overview
Calcium p-toluenesulphonate (CAS 36747-44-1), with molecular formula C14H14CaO6S2 and molecular weight 381.99 g/mol. IUPAC: calcium bis(4-methylbenzenesulfonate).
Chemical Property Profile of Calcium p-toluenesulphonate
Property Insights of Calcium p-toluenesulphonate
The XLogP value of 1.41744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium p-toluenesulphonate. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium p-toluenesulphonate. Following Lipinski's Rule of Five, Calcium p-toluenesulphonate has 0 hydrogen bond donor(s) and 6 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 p-toluenesulphonate?
The CAS number of Calcium p-toluenesulphonate is 36747-44-1.
What is the molecular formula of Calcium p-toluenesulphonate?
The molecular formula of Calcium p-toluenesulphonate is C14H14CaO6S2.
What is the molecular weight of Calcium p-toluenesulphonate?
The molecular weight of Calcium p-toluenesulphonate is 381.99 g/mol.
Where can I buy Calcium p-toluenesulphonate?
You can request a quote for Calcium p-toluenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium p-toluenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium p-toluenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.