Ethyl 4-(prop-2-yn-1-yloxy)benzoate
TL;DR: Ethyl 4-(prop-2-yn-1-yloxy)benzoate (CAS 175203-55-1) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-prop-2-ynoxybenzoate
Also Known As: ethyl 4-prop-2-ynoxybenzoate, Ethyl 4-(prop-2-yn-1-yloxy)benzoate, Maybridge1_005093, ETHYL 4-(PROP-2-YNYLOXY)BENZOATE, ethyl para-(propargyloxy)benzoate
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.8753 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 359.44876 |
Chemical Identifiers
| CAS Number | 175203-55-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC#C |
Product Overview
Ethyl 4-(prop-2-yn-1-yloxy)benzoate (CAS 175203-55-1), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: ethyl 4-prop-2-ynoxybenzoate.
Chemical Property Profile of Ethyl 4-(prop-2-yn-1-yloxy)benzoate
Property Insights of Ethyl 4-(prop-2-yn-1-yloxy)benzoate
The XLogP value of 1.8753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(prop-2-yn-1-yloxy)benzoate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 4-(prop-2-yn-1-yloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(prop-2-yn-1-yloxy)benzoate 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 Ethyl 4-(prop-2-yn-1-yloxy)benzoate?
The CAS number of Ethyl 4-(prop-2-yn-1-yloxy)benzoate is 175203-55-1.
What is the molecular formula of Ethyl 4-(prop-2-yn-1-yloxy)benzoate?
The molecular formula of Ethyl 4-(prop-2-yn-1-yloxy)benzoate is C12H12O3.
What is the molecular weight of Ethyl 4-(prop-2-yn-1-yloxy)benzoate?
The molecular weight of Ethyl 4-(prop-2-yn-1-yloxy)benzoate is 204.08 g/mol.
Where can I buy Ethyl 4-(prop-2-yn-1-yloxy)benzoate?
You can request a quote for Ethyl 4-(prop-2-yn-1-yloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(prop-2-yn-1-yloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(prop-2-yn-1-yloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.