2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester
TL;DR: 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester (CAS 27944-90-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(cyclohexen-1-yl)prop-2-ynoate
Also Known As: methyl 3-(cyclohexen-1-yl)prop-2-ynoate, methyl 3-cyclohexenylpropiolate, 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester, methyl 3-cyclohex-1-enylprop-2-ynoate, Methyl 3-(1-cyclohexen-1-yl)-2-propynoate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.6632 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 252.74748 |
Chemical Identifiers
| CAS Number | 27944-90-7 |
|---|---|
| SMILES | COC(=O)C#CC1=CCCCC1 |
Product Overview
2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester (CAS 27944-90-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: methyl 3-(cyclohexen-1-yl)prop-2-ynoate.
Chemical Property Profile of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester
Property Insights of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester
The XLogP value of 1.6632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl 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 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester?
The CAS number of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester is 27944-90-7.
What is the molecular formula of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester?
The molecular formula of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester is C10H12O2.
What is the molecular weight of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester?
The molecular weight of 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester is 164.08 g/mol.
Where can I buy 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester?
You can request a quote for 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, 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-cyclohexen-1-yl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynoic acid, 3-(1-cyclohexen-1-yl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.