对甲苯磺酸盐
TL;DR: 对甲苯磺酸盐 (CAS 16722-51-3) is a chemical compound with molecular formula C7H7O3S- and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯磺酸盐
4-methylbenzenesulfonate
Also Known As: tosylate, 4-Methylbenzenesulfonate, 4-Toluene sulfonate, Toluene-4-sulfonate, p-Toluenesulfonate
| Molecular Formula | C7H7O3S- |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.0116 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 16722-51-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | JOXIMZWYDAKGHI-UHFFFAOYSA-M |
Product Overview
对甲苯磺酸盐 (CAS 16722-51-3), with molecular formula C7H7O3S- and molecular weight 171.01 g/mol. IUPAC: 4-methylbenzenesulfonate.
Chemical Property Profile of 对甲苯磺酸盐
Property Insights of 对甲苯磺酸盐
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲苯磺酸盐. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 对甲苯磺酸盐. Following Lipinski's Rule of Five, 对甲苯磺酸盐 has 0 hydrogen bond donor(s) and 3 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 对甲苯磺酸盐?
The CAS number of 对甲苯磺酸盐 is 16722-51-3.
What is the molecular formula of 对甲苯磺酸盐?
The molecular formula of 对甲苯磺酸盐 is C7H7O3S-.
What is the molecular weight of 对甲苯磺酸盐?
The molecular weight of 对甲苯磺酸盐 is 171.01 g/mol.
Where can I buy 对甲苯磺酸盐?
You can request a quote for 对甲苯磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.