(E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one
TL;DR: (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one (CAS 109482-97-5) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one
Also Known As: (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one, (2E)-3-[(4-chlorophenyl)amino]-1-(furan-2-yl)prop-2-en-1-one
| Molecular Formula | C13H10ClNO2 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 3.7415 |
| Topological Polar Surface Area | 42.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.04001 |
| Heavy Atoms | 17 |
| Complexity | 514.8623 |
Chemical Identifiers
| CAS Number | 109482-97-5 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)/C=C/NC2=CC=C(C=C2)Cl |
Product Overview
(E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one (CAS 109482-97-5), with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol. IUPAC: (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one
Property Insights of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one
The XLogP value of 3.7415 indicates that (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.24 Ų, (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one has 1 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 (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one?
The CAS number of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one is 109482-97-5.
What is the molecular formula of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one?
The molecular formula of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one is C13H10ClNO2.
What is the molecular weight of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one?
The molecular weight of (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one is 247.04 g/mol.
Where can I buy (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one?
You can request a quote for (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chloroanilino)-1-(furan-2-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.