Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester
TL;DR: Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester (CAS 93098-67-0) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethynylcyclohexyl) 2-methylpropanoate
Also Known As: 1-Ethynylcyclohexyl isobutyrate, 1-Ethynlcyclohexyl isobutyrate, 1-Ethynylcyclohexanol isobutyrate, (1-ethynylcyclohexyl) 2-methylpropanoate, 1-ETHYNYLCYCLOHEXYL 2-METHYLPROPANOATE
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 93098-67-0 |
|---|---|
| SMILES | CC(C)C(=O)OC1(CCCCC1)C#C |
| InChIKey | XORMBOZPLKMQMZ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester (CAS 93098-67-0), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (1-ethynylcyclohexyl) 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester
Property Insights of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl 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 Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester?
The CAS number of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester is 93098-67-0.
What is the molecular formula of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester is C12H18O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester is 194.13 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.