(1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane
TL;DR: (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane (CAS 29707-60-6) 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.
(1S,2R,4S)-2-chloro-4-methyl-1-propan-2-ylcyclohexane
Also Known As: KST-1A3629, p-Menthane, 3-chloro-cis-1,3-trans-1,4-, (1s,2r,4s)-2-chloro-4-methyl-1-(propan-2-yl)cyclohexane, (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane, (1S,2R,4S)-2-chloro-4-methyl-1-propan-2-ylcyclohexane
| Molecular Formula | C10H19Cl |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.11752 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 29707-60-6 |
|---|---|
| SMILES | C[C@H]1CC[C@H]([C@@H](C1)Cl)C(C)C |
| InChIKey | OMLOJNNKKPNVKN-LPEHRKFASA-N |
Product Overview
(1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane (CAS 29707-60-6), with molecular formula C10H19Cl and molecular weight 174.12 g/mol. IUPAC: (1S,2R,4S)-2-chloro-4-methyl-1-propan-2-ylcyclohexane.
Chemical Property Profile of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane
Property Insights of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane
The XLogP value of 4.3 indicates that (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane 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 (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane?
The CAS number of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane is 29707-60-6.
What is the molecular formula of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane?
The molecular formula of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane is C10H19Cl.
What is the molecular weight of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane?
The molecular weight of (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane is 174.12 g/mol.
Where can I buy (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane?
You can request a quote for (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for (1alpha,2beta,4beta)-2-Chloro-1-(isopropyl)-4-methylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.