4-Pentynoic acid ethyl ester
TL;DR: 4-Pentynoic acid ethyl ester (CAS 63093-41-4) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pent-4-ynoate
Also Known As: ethyl pent-4-ynoate, ethyl 4-pentynoate, 4-Pentynoic acid ethyl ester, ethylpent-4-ynoate, 4-Pentynoic acid, ethyl ester
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 63093-41-4 |
|---|---|
| SMILES | CCOC(=O)CCC#C |
| InChIKey | WXFVBLCWAIVAFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentynoic acid ethyl ester (CAS 63093-41-4), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: ethyl pent-4-ynoate.
Chemical Property Profile of 4-Pentynoic acid ethyl ester
Property Insights of 4-Pentynoic acid ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentynoic acid ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentynoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentynoic acid ethyl 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 4-Pentynoic acid ethyl ester?
The CAS number of 4-Pentynoic acid ethyl ester is 63093-41-4.
What is the molecular formula of 4-Pentynoic acid ethyl ester?
The molecular formula of 4-Pentynoic acid ethyl ester is C7H10O2.
What is the molecular weight of 4-Pentynoic acid ethyl ester?
The molecular weight of 4-Pentynoic acid ethyl ester is 126.07 g/mol.
Where can I buy 4-Pentynoic acid ethyl ester?
You can request a quote for 4-Pentynoic 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-Pentynoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentynoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.