Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
TL;DR: Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester (CAS 113962-04-2) is a chemical compound with molecular formula C10H17IO2 and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-iodo-2-methylcyclohexane-1-carboxylate
Also Known As: ethyl 4-iodo-2-methylcyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester, Ethyl 4-iodo-2-methylcyclohexanecarboxylate #, Cyclohexane carboxylic acid, 4-iodo-trans-2-methyl-, Cyclohexane carboxylic acid,4-iodo-trans-2-methyl
| Molecular Formula | C10H17IO2 |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.02734 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 113962-04-2 |
|---|---|
| SMILES | CCOC(=O)C1CCC(CC1C)I |
| InChIKey | VCYRCZHXDDPHQG-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester (CAS 113962-04-2), with molecular formula C10H17IO2 and molecular weight 296.03 g/mol. IUPAC: ethyl 4-iodo-2-methylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
Property Insights of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
The XLogP value of 3.5 indicates that Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl 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, Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl 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 Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester?
The CAS number of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester is 113962-04-2.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester is C10H17IO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester is 296.03 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.