甲烷4-甲基苯磺酸盐
TL;DR: 甲烷4-甲基苯磺酸盐 (CAS 4124-42-9) is a chemical compound with molecular formula C8H11O3S- and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲烷4-甲基苯磺酸盐
methane;4-methylbenzenesulfonate
Also Known As: Ammonium p-toluenesulfonate, Ammonium toluene-4-sulphonate, methane; 4-methylbenzenesulfonate, methane;4-methylbenzenesulfonate, p-Toluenesulfonic acid, ammonium salt
| Molecular Formula | C8H11O3S- |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.54 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.0429 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 4124-42-9 |
|---|---|
| SMILES | C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | RGFDUTPSNJTRCY-UHFFFAOYSA-M |
Product Overview
甲烷4-甲基苯磺酸盐 (CAS 4124-42-9), with molecular formula C8H11O3S- and molecular weight 187.04 g/mol. IUPAC: methane;4-methylbenzenesulfonate.
Chemical Property Profile of 甲烷4-甲基苯磺酸盐
Property Insights of 甲烷4-甲基苯磺酸盐
The XLogP value of 1.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲烷4-甲基苯磺酸盐. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲烷4-甲基苯磺酸盐. Following Lipinski's Rule of Five, 甲烷4-甲基苯磺酸盐 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 甲烷4-甲基苯磺酸盐?
The CAS number of 甲烷4-甲基苯磺酸盐 is 4124-42-9.
What is the molecular formula of 甲烷4-甲基苯磺酸盐?
The molecular formula of 甲烷4-甲基苯磺酸盐 is C8H11O3S-.
What is the molecular weight of 甲烷4-甲基苯磺酸盐?
The molecular weight of 甲烷4-甲基苯磺酸盐 is 187.04 g/mol.
Where can I buy 甲烷4-甲基苯磺酸盐?
You can request a quote for 甲烷4-甲基苯磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲烷4-甲基苯磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 甲烷4-甲基苯磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.