(2-Bromocyclohexyl) 4-methylbenzenesulfonate
TL;DR: (2-Bromocyclohexyl) 4-methylbenzenesulfonate (CAS 5433-23-8) is a chemical compound with molecular formula C13H17BrO3S and molecular weight 332.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromocyclohexyl) 4-methylbenzenesulfonate
Also Known As: (2-bromocyclohexyl) 4-methylbenzenesulfonate, 2-bromocyclohexyl 4-methylbenzenesulfonate, CIS-2-BROMOCYCLOHEXANOL P-TOSYLATE, (2-bromocyclohexyl)4-methylbenzenesulfonate, 2-Bromocyclohexyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C13H17BrO3S |
|---|---|
| Molecular Weight | 332.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.00818 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 5433-23-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2Br |
| InChIKey | BFTYQNCPCZHZSQ-UHFFFAOYSA-N |
Product Overview
(2-Bromocyclohexyl) 4-methylbenzenesulfonate (CAS 5433-23-8), with molecular formula C13H17BrO3S and molecular weight 332.01 g/mol. IUPAC: (2-bromocyclohexyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (2-Bromocyclohexyl) 4-methylbenzenesulfonate
Property Insights of (2-Bromocyclohexyl) 4-methylbenzenesulfonate
The XLogP value of 3.7 indicates that (2-Bromocyclohexyl) 4-methylbenzenesulfonate 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-Bromocyclohexyl) 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Bromocyclohexyl) 4-methylbenzenesulfonate 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-Bromocyclohexyl) 4-methylbenzenesulfonate?
The CAS number of (2-Bromocyclohexyl) 4-methylbenzenesulfonate is 5433-23-8.
What is the molecular formula of (2-Bromocyclohexyl) 4-methylbenzenesulfonate?
The molecular formula of (2-Bromocyclohexyl) 4-methylbenzenesulfonate is C13H17BrO3S.
What is the molecular weight of (2-Bromocyclohexyl) 4-methylbenzenesulfonate?
The molecular weight of (2-Bromocyclohexyl) 4-methylbenzenesulfonate is 332.01 g/mol.
Where can I buy (2-Bromocyclohexyl) 4-methylbenzenesulfonate?
You can request a quote for (2-Bromocyclohexyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromocyclohexyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromocyclohexyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.