Acetic acid, chloro-, 4-isopropylcyclohexyl ester
TL;DR: Acetic acid, chloro-, 4-isopropylcyclohexyl ester (CAS 64046-45-3) is a chemical compound with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylcyclohexyl) 2-chloroacetate
Also Known As: Isopropylcyclohexyl chloroacetate, (4-propan-2-ylcyclohexyl) 2-chloroacetate, ACETIC ACID, CHLORO-, 4-ISOPROPYLCYCLOHEXYL ESTER, 4-(Propan-2-yl)cyclohexyl chloroacetate, Chloroacetic acid 4-isopropylcyclohexyl ester
| Molecular Formula | C11H19ClO2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10736 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 64046-45-3 |
|---|---|
| SMILES | CC(C)C1CCC(CC1)OC(=O)CCl |
| InChIKey | DJFWFDVJXJZDST-UHFFFAOYSA-N |
Product Overview
Acetic acid, chloro-, 4-isopropylcyclohexyl ester (CAS 64046-45-3), with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol. IUPAC: (4-propan-2-ylcyclohexyl) 2-chloroacetate.
Chemical Property Profile of Acetic acid, chloro-, 4-isopropylcyclohexyl ester
Property Insights of Acetic acid, chloro-, 4-isopropylcyclohexyl ester
The XLogP value of 3.6 indicates that Acetic acid, chloro-, 4-isopropylcyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, chloro-, 4-isopropylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, chloro-, 4-isopropylcyclohexyl ester has 0 hydrogen bond donor(s) and 2 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 Acetic acid, chloro-, 4-isopropylcyclohexyl ester?
The CAS number of Acetic acid, chloro-, 4-isopropylcyclohexyl ester is 64046-45-3.
What is the molecular formula of Acetic acid, chloro-, 4-isopropylcyclohexyl ester?
The molecular formula of Acetic acid, chloro-, 4-isopropylcyclohexyl ester is C11H19ClO2.
What is the molecular weight of Acetic acid, chloro-, 4-isopropylcyclohexyl ester?
The molecular weight of Acetic acid, chloro-, 4-isopropylcyclohexyl ester is 218.11 g/mol.
Where can I buy Acetic acid, chloro-, 4-isopropylcyclohexyl ester?
You can request a quote for Acetic acid, chloro-, 4-isopropylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, chloro-, 4-isopropylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, chloro-, 4-isopropylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.