Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate
TL;DR: Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate (CAS 87955-53-1) is a chemical compound with molecular formula C23H22O2 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate
Also Known As: ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate, ethyl 3-(4,4-diphenylcyclohex-1-en-1-yl)prop-2-ynoate (en)2-
| Molecular Formula | C23H22O2 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 4.6495 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.162 |
| Heavy Atoms | 25 |
| Complexity | 767.9213 |
Chemical Identifiers
| CAS Number | 87955-53-1 |
|---|---|
| SMILES | CCOC(=O)C#CC1=CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate (CAS 87955-53-1), with molecular formula C23H22O2 and molecular weight 330.16 g/mol. IUPAC: ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate.
Chemical Property Profile of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate
Property Insights of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate
The XLogP value of 4.6495 indicates that Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate 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 Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate?
The CAS number of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate is 87955-53-1.
What is the molecular formula of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate?
The molecular formula of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate is C23H22O2.
What is the molecular weight of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate?
The molecular weight of Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate is 330.16 g/mol.
Where can I buy Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate?
You can request a quote for Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.