2-苯基环己基4-甲基苯-1-磺酸盐
TL;DR: 2-苯基环己基4-甲基苯-1-磺酸盐 (CAS 94385-43-0) is a chemical compound with molecular formula C19H22O3S and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基环己基4-甲基苯-1-磺酸盐
(2-phenylcyclohexyl) 4-methylbenzenesulfonate
Also Known As: (2-phenylcyclohexyl) 4-methylbenzenesulfonate, 2-Phenylcyclohexyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C19H22O3S |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.12897 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 94385-43-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC=CC=C3 |
| InChIKey | VHAKJRPWWBTXFX-UHFFFAOYSA-N |
Product Overview
2-苯基环己基4-甲基苯-1-磺酸盐 (CAS 94385-43-0), with molecular formula C19H22O3S and molecular weight 330.13 g/mol. IUPAC: (2-phenylcyclohexyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-苯基环己基4-甲基苯-1-磺酸盐
Property Insights of 2-苯基环己基4-甲基苯-1-磺酸盐
The XLogP value of 4.8 indicates that 2-苯基环己基4-甲基苯-1-磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-苯基环己基4-甲基苯-1-磺酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基环己基4-甲基苯-1-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 2-苯基环己基4-甲基苯-1-磺酸盐?
The CAS number of 2-苯基环己基4-甲基苯-1-磺酸盐 is 94385-43-0.
What is the molecular formula of 2-苯基环己基4-甲基苯-1-磺酸盐?
The molecular formula of 2-苯基环己基4-甲基苯-1-磺酸盐 is C19H22O3S.
What is the molecular weight of 2-苯基环己基4-甲基苯-1-磺酸盐?
The molecular weight of 2-苯基环己基4-甲基苯-1-磺酸盐 is 330.13 g/mol.
Where can I buy 2-苯基环己基4-甲基苯-1-磺酸盐?
You can request a quote for 2-苯基环己基4-甲基苯-1-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 2-苯基环己基4-甲基苯-1-磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基环己基4-甲基苯-1-磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.