4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester
TL;DR: 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester (CAS 54966-48-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyclopropyl-4-oxobut-2-ynoate
Also Known As: ethyl 4-cyclopropyl-4-oxobut-2-ynoate, Ethyl 4-cyclopropyl-4-oxo-2-butynoate, 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester, 4-Cyclopropyl-4-oxo-2-butynoicacidethylester, Ethyl 4-cyclopropyl-4-oxo-2-butynoate #
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 54966-48-2 |
|---|---|
| SMILES | CCOC(=O)C#CC(=O)C1CC1 |
| InChIKey | SYPBXEROLZGERL-UHFFFAOYSA-N |
Product Overview
4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester (CAS 54966-48-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: ethyl 4-cyclopropyl-4-oxobut-2-ynoate.
Chemical Property Profile of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester
Property Insights of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester has 0 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-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester?
The CAS number of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester is 54966-48-2.
What is the molecular formula of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester?
The molecular formula of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester is C9H10O3.
What is the molecular weight of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester?
The molecular weight of 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester is 166.06 g/mol.
Where can I buy 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester?
You can request a quote for 4-Cyclopropyl-4-oxo-2-butynoic 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-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclopropyl-4-oxo-2-butynoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.