3-phenyl-2-furoic acid
TL;DR: 3-phenyl-2-furoic acid (CAS 72284-46-9) is a chemical compound with molecular formula C20H27Cl2NO and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride
Also Known As: 3-phenyl-2-furoic acid, (Z)-Non-2-enoic acid ethyl ester, 2-(4-Dimethylaminobutoxy)-2'-chlorobibenzyl hydrochloride, 1-Butanamine, 4-(2-(2-(2-chlorophenyl)ethyl)phenoxy)-N,N-dimethyl-, hydrochloride, 4-(2-(2-(2-Chlorophenyl)ethyl)phenoxy)-N,N-dimethyl-1-butanamine hydrochloride
| Molecular Formula | C20H27Cl2NO |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 5.2676 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.14697 |
| Heavy Atoms | 24 |
| Complexity | 601.69763 |
Chemical Identifiers
| CAS Number | 72284-46-9 |
|---|---|
| SMILES | CN(C)CCCCOC1=CC=CC=C1CCC2=CC=CC=C2Cl.Cl |
Product Overview
3-phenyl-2-furoic acid (CAS 72284-46-9), with molecular formula C20H27Cl2NO and molecular weight 367.15 g/mol. IUPAC: 4-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine;hydrochloride.
Chemical Property Profile of 3-phenyl-2-furoic acid
Property Insights of 3-phenyl-2-furoic acid
The XLogP value of 5.2676 indicates that 3-phenyl-2-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 3-phenyl-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2-furoic acid has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-phenyl-2-furoic acid?
The CAS number of 3-phenyl-2-furoic acid is 72284-46-9.
What is the molecular formula of 3-phenyl-2-furoic acid?
The molecular formula of 3-phenyl-2-furoic acid is C20H27Cl2NO.
What is the molecular weight of 3-phenyl-2-furoic acid?
The molecular weight of 3-phenyl-2-furoic acid is 367.15 g/mol.
Where can I buy 3-phenyl-2-furoic acid?
You can request a quote for 3-phenyl-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.