(2-Chlorocyclohexyl) 4-bromobenzenesulfonate
TL;DR: (2-Chlorocyclohexyl) 4-bromobenzenesulfonate (CAS 41914-94-7) is a chemical compound with molecular formula C12H14BrClO3S and molecular weight 351.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorocyclohexyl) 4-bromobenzenesulfonate
Also Known As: (2-chlorocyclohexyl) 4-bromobenzenesulfonate, 2-Chlorocyclohexyl 4-bromobenzene-1-sulfonate, 1-Bromo-4-(2-chlorocyclohexyl)oxysulfonyl-benzene
| Molecular Formula | C12H14BrClO3S |
|---|---|
| Molecular Weight | 351.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.95355 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 41914-94-7 |
|---|---|
| SMILES | C1CCC(C(C1)OS(=O)(=O)C2=CC=C(C=C2)Br)Cl |
| InChIKey | NGUIOLRILYICSS-UHFFFAOYSA-N |
Product Overview
(2-Chlorocyclohexyl) 4-bromobenzenesulfonate (CAS 41914-94-7), with molecular formula C12H14BrClO3S and molecular weight 351.95 g/mol. IUPAC: (2-chlorocyclohexyl) 4-bromobenzenesulfonate.
Chemical Property Profile of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate
Property Insights of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate
The XLogP value of 3.8 indicates that (2-Chlorocyclohexyl) 4-bromobenzenesulfonate 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-Chlorocyclohexyl) 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chlorocyclohexyl) 4-bromobenzenesulfonate 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-Chlorocyclohexyl) 4-bromobenzenesulfonate?
The CAS number of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate is 41914-94-7.
What is the molecular formula of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate?
The molecular formula of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate is C12H14BrClO3S.
What is the molecular weight of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate?
The molecular weight of (2-Chlorocyclohexyl) 4-bromobenzenesulfonate is 351.95 g/mol.
Where can I buy (2-Chlorocyclohexyl) 4-bromobenzenesulfonate?
You can request a quote for (2-Chlorocyclohexyl) 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chlorocyclohexyl) 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorocyclohexyl) 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.