3,3-Diphenyl-propen
TL;DR: 3,3-Diphenyl-propen (CAS 4022-95-1) is a chemical compound with molecular formula C16H11ClF3NO4 and molecular weight 373.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
Also Known As: 3,3-Diphenyl-propen, (4-chloro-2-{[3-(trifluoromethyl)phenyl]carbamoyl}phenoxy)acetic acid, Acetic acid, (4-chloro-2-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)phenoxy)-, Acetic acid, (4-chloro-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-, (4-Chloro-2-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)phenoxy)acetic acid
| Molecular Formula | C16H11ClF3NO4 |
|---|---|
| Molecular Weight | 373.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.03287 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 4022-95-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)OCC(=O)O)C(F)(F)F |
| InChIKey | HRFHLWCIWWSCDA-UHFFFAOYSA-N |
Product Overview
3,3-Diphenyl-propen (CAS 4022-95-1), with molecular formula C16H11ClF3NO4 and molecular weight 373.03 g/mol. IUPAC: 2-[4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid.
Chemical Property Profile of 3,3-Diphenyl-propen
Property Insights of 3,3-Diphenyl-propen
The XLogP value of 3.8 indicates that 3,3-Diphenyl-propen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Diphenyl-propen. Following Lipinski's Rule of Five, 3,3-Diphenyl-propen has 2 hydrogen bond donor(s) and 7 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 3,3-Diphenyl-propen?
The CAS number of 3,3-Diphenyl-propen is 4022-95-1.
What is the molecular formula of 3,3-Diphenyl-propen?
The molecular formula of 3,3-Diphenyl-propen is C16H11ClF3NO4.
What is the molecular weight of 3,3-Diphenyl-propen?
The molecular weight of 3,3-Diphenyl-propen is 373.03 g/mol.
Where can I buy 3,3-Diphenyl-propen?
You can request a quote for 3,3-Diphenyl-propen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diphenyl-propen?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diphenyl-propen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.