3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid
TL;DR: 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid (CAS 87955-52-0) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoic acid
Also Known As: 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoic acid, 3-(4,4-diphenyl-1-cyclohexenyl)prop-2-ynoic Acid, 3-(4,4-diphenylcyclohex-1-en-1-yl)prop-2-ynoic acid (en)2-Pr
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.171 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 737.3413 |
Chemical Identifiers
| CAS Number | 87955-52-0 |
|---|---|
| SMILES | C1CC(CC=C1C#CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid (CAS 87955-52-0), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: 3-(4,4-diphenylcyclohexen-1-yl)prop-2-ynoic acid.
Chemical Property Profile of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid
Property Insights of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid
The XLogP value of 4.171 indicates that 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid has 1 hydrogen bond donor(s) and 1 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 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid?
The CAS number of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid is 87955-52-0.
What is the molecular formula of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid?
The molecular formula of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid is C21H18O2.
What is the molecular weight of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid?
The molecular weight of 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid is 302.13 g/mol.
Where can I buy 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid?
You can request a quote for 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,4-Diphenylcyclohexen-1-yl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.