Propanoic acid, 3-(2-propynyloxy)-, ethyl ester
TL;DR: Propanoic acid, 3-(2-propynyloxy)-, ethyl ester (CAS 55702-68-6) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-prop-2-ynoxypropanoate
Also Known As: 3- propanoicacidethylester, ethyl 3-prop-2-ynoxypropanoate, Ethyl 3-(2-propynyloxy)propanoate, Ethyl 3-(2-propynyloxy)propanoate #, ethyl 3-(prop-2-yn-1-yloxy)propanoate
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 55702-68-6 |
|---|---|
| SMILES | CCOC(=O)CCOCC#C |
| InChIKey | VNHDOQXJUPFWPN-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-(2-propynyloxy)-, ethyl ester (CAS 55702-68-6), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: ethyl 3-prop-2-ynoxypropanoate.
Chemical Property Profile of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester
Property Insights of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-(2-propynyloxy)-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Propanoic acid, 3-(2-propynyloxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-(2-propynyloxy)-, 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 Propanoic acid, 3-(2-propynyloxy)-, ethyl ester?
The CAS number of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester is 55702-68-6.
What is the molecular formula of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester?
The molecular formula of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester is C8H12O3.
What is the molecular weight of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester?
The molecular weight of Propanoic acid, 3-(2-propynyloxy)-, ethyl ester is 156.08 g/mol.
Where can I buy Propanoic acid, 3-(2-propynyloxy)-, ethyl ester?
You can request a quote for Propanoic acid, 3-(2-propynyloxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-(2-propynyloxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(2-propynyloxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.