4-Hydroxy-non-2-ynoic acid, ethyl ester
TL;DR: 4-Hydroxy-non-2-ynoic acid, ethyl ester (CAS 72036-36-3) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxynon-2-ynoate
Also Known As: ethyl 4-hydroxynon-2-ynoate, Ethyl 4-hydroxy-2-nonynoate #, 4-Hydroxy-non-2-ynoic acid, ethyl ester, 4-Hydroxy-2-nonynoic acid ethyl ester
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 72036-36-3 |
|---|---|
| SMILES | CCCCCC(C#CC(=O)OCC)O |
| InChIKey | UHIJSVJMDAUUNM-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-non-2-ynoic acid, ethyl ester (CAS 72036-36-3), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl 4-hydroxynon-2-ynoate.
Chemical Property Profile of 4-Hydroxy-non-2-ynoic acid, ethyl ester
Property Insights of 4-Hydroxy-non-2-ynoic acid, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-non-2-ynoic acid, ethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Hydroxy-non-2-ynoic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-non-2-ynoic acid, ethyl 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 4-Hydroxy-non-2-ynoic acid, ethyl ester?
The CAS number of 4-Hydroxy-non-2-ynoic acid, ethyl ester is 72036-36-3.
What is the molecular formula of 4-Hydroxy-non-2-ynoic acid, ethyl ester?
The molecular formula of 4-Hydroxy-non-2-ynoic acid, ethyl ester is C11H18O3.
What is the molecular weight of 4-Hydroxy-non-2-ynoic acid, ethyl ester?
The molecular weight of 4-Hydroxy-non-2-ynoic acid, ethyl ester is 198.13 g/mol.
Where can I buy 4-Hydroxy-non-2-ynoic acid, ethyl ester?
You can request a quote for 4-Hydroxy-non-2-ynoic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-non-2-ynoic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-non-2-ynoic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.