2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene
TL;DR: 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene (CAS 30401-87-7) is a chemical compound with molecular formula C17H19ClO2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene
Also Known As: N-boc-1-amino-7-hydroxynaphthalene, 2-(2-chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene, 2-[(2-chloro-2-phenylethyl)sulfonyl]-1,3,5-trimethylbenzene, Benzene,2-[(2-chloro-2-phenylethyl)sulfonyl]-1,3,5-trimethyl-, 2-(2-CHLORO-2-PHENYLETHANESULFONYL)-1,3,5-TRIMETHYLBENZENE
| Molecular Formula | C17H19ClO2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.07944 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 30401-87-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)CC(C2=CC=CC=C2)Cl)C |
| InChIKey | UTKPPSFDXPLIGT-UHFFFAOYSA-N |
Product Overview
2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene (CAS 30401-87-7), with molecular formula C17H19ClO2S and molecular weight 322.08 g/mol. IUPAC: 2-(2-chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene.
Chemical Property Profile of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene
Property Insights of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene
The XLogP value of 4.4 indicates that 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene has 0 hydrogen bond donor(s) and 2 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-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene?
The CAS number of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene is 30401-87-7.
What is the molecular formula of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene?
The molecular formula of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene is C17H19ClO2S.
What is the molecular weight of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene?
The molecular weight of 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene is 322.08 g/mol.
Where can I buy 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene?
You can request a quote for 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-2-phenylethyl)sulfonyl-1,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.