2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester
TL;DR: 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester (CAS 72036-33-0) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-hydroxycyclohexyl)prop-2-ynoate
Also Known As: methyl 3-(1-hydroxycyclohexyl)prop-2-ynoate, 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester, methyl 3-(1-hydroxycyclohexyl)propiolate, 3-(1-Hydroxycyclohexyl)propiolic acid methyl ester, 3-(1-Hydroxycyclohexyl)propynoic acid methyl ester
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 0.858 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 240.63081 |
Chemical Identifiers
| CAS Number | 72036-33-0 |
|---|---|
| SMILES | COC(=O)C#CC1(CCCCC1)O |
Product Overview
2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester (CAS 72036-33-0), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: methyl 3-(1-hydroxycyclohexyl)prop-2-ynoate.
Chemical Property Profile of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester
Property Insights of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester
The XLogP value of 0.858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester 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-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester?
The CAS number of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester is 72036-33-0.
What is the molecular formula of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester?
The molecular formula of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester is C10H14O3.
What is the molecular weight of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester?
The molecular weight of 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester is 182.09 g/mol.
Where can I buy 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester?
You can request a quote for 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynoic acid, 3-(1-hydroxycyclohexyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.