2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate
TL;DR: 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate (CAS 38705-98-5) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
Also Known As: EINECS 254-095-0, WS 4, 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate, 2-Hydroxyethyl 2-isopropyl-5-methylcyclohexanecarboxylate, 2-Hydroxyethyl 5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylate
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 2.2303 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 225.21759 |
Chemical Identifiers
| CAS Number | 38705-98-5 |
|---|---|
| SMILES | CC1CCC(C(C1)C(=O)OCCO)C(C)C |
Product Overview
2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate (CAS 38705-98-5), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: 2-hydroxyethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.
Chemical Property Profile of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate
Property Insights of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate
The XLogP value of 2.2303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate has 1 hydrogen bond donor(s) and 3 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 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate?
The CAS number of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate is 38705-98-5.
What is the molecular formula of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate?
The molecular formula of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate is C13H24O3.
What is the molecular weight of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate?
The molecular weight of 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate is 228.17 g/mol.
Where can I buy 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate?
You can request a quote for 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.