Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-
TL;DR: Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- (CAS 139266-49-2) is a chemical compound with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetonitrile
Also Known As: (4-Chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)acetonitrile, Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-, 2-Cyanomethylene-4-chloro-5-(4-methylphenyl)furan-3(2H)-one, (2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetonitrile, 2-[4-chloro-5-(4-methylphenyl)-3-oxo-2,3-dihydrofuran-2-ylidene]acetonitrile
| Molecular Formula | C13H8ClNO2 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 2.9092 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.02435 |
| Heavy Atoms | 17 |
| Complexity | 576.4322 |
Chemical Identifiers
| CAS Number | 139266-49-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=O)/C(=C\C#N)/O2)Cl |
Product Overview
Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- (CAS 139266-49-2), with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol. IUPAC: (2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetonitrile.
Chemical Property Profile of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-
Property Insights of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-
The XLogP value of 2.9092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-. With a topological polar surface area (TPSA) of 50.09 Ų, Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- has 0 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 Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-?
The CAS number of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- is 139266-49-2.
What is the molecular formula of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-?
The molecular formula of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- is C13H8ClNO2.
What is the molecular weight of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-?
The molecular weight of Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- is 245.02 g/mol.
Where can I buy Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-?
You can request a quote for Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.