1-tert-Butyl-4-chlorocyclohexane
TL;DR: 1-tert-Butyl-4-chlorocyclohexane (CAS 13131-74-3) is a chemical compound with molecular formula C10H19Cl and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-chlorocyclohexane
Also Known As: 1-tert-Butyl-4-chlorocyclohexane, EINECS 263-392-4, 1-Chloro-4-tert-butylcyclohexane, 1-(tert-butyl)-4-chlorocyclohexane, cis-4-t-butyl-1-chlorocyclohexane
| Molecular Formula | C10H19Cl |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.8301 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.11752 |
| Heavy Atoms | 11 |
| Complexity | 115.32469 |
Chemical Identifiers
| CAS Number | 13131-74-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)Cl |
Product Overview
1-tert-Butyl-4-chlorocyclohexane (CAS 13131-74-3), with molecular formula C10H19Cl and molecular weight 174.12 g/mol. IUPAC: 1-tert-butyl-4-chlorocyclohexane.
Chemical Property Profile of 1-tert-Butyl-4-chlorocyclohexane
Property Insights of 1-tert-Butyl-4-chlorocyclohexane
The XLogP value of 3.8301 indicates that 1-tert-Butyl-4-chlorocyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-tert-Butyl-4-chlorocyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-4-chlorocyclohexane has 0 hydrogen bond donor(s) and 0 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 1-tert-Butyl-4-chlorocyclohexane?
The CAS number of 1-tert-Butyl-4-chlorocyclohexane is 13131-74-3.
What is the molecular formula of 1-tert-Butyl-4-chlorocyclohexane?
The molecular formula of 1-tert-Butyl-4-chlorocyclohexane is C10H19Cl.
What is the molecular weight of 1-tert-Butyl-4-chlorocyclohexane?
The molecular weight of 1-tert-Butyl-4-chlorocyclohexane is 174.12 g/mol.
Where can I buy 1-tert-Butyl-4-chlorocyclohexane?
You can request a quote for 1-tert-Butyl-4-chlorocyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-4-chlorocyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-4-chlorocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.