(1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane
TL;DR: (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane (CAS 95044-70-5) is a chemical compound with molecular formula C10H14BrCl3 and molecular weight 317.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane
Also Known As: Coccinene, (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-[(E)-2-chloroethenyl]-1,5-dimethyl-cyclohexane
| Molecular Formula | C10H14BrCl3 |
|---|---|
| Molecular Weight | 317.93 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.93445 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 95044-70-5 |
|---|---|
| SMILES | C[C@]1(C[C@@]([C@@H](C[C@@H]1Br)Cl)(C)Cl)C=CCl |
| InChIKey | RUGBKCUWZCCZDR-SGIHWFKDSA-N |
Product Overview
(1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane (CAS 95044-70-5), with molecular formula C10H14BrCl3 and molecular weight 317.93 g/mol. IUPAC: (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane.
Chemical Property Profile of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane
Property Insights of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane
The XLogP value of 4.8 indicates that (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane 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 (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane?
The CAS number of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane is 95044-70-5.
What is the molecular formula of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane?
The molecular formula of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane is C10H14BrCl3.
What is the molecular weight of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane?
The molecular weight of (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane is 317.93 g/mol.
Where can I buy (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane?
You can request a quote for (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.