A2498/0106254
TL;DR: A2498/0106254 (CAS 6041-05-0) is a chemical compound with molecular formula C18H11ClN2O3 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
Also Known As: A2498/0106254, (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-hydroxy-4-methyl-6-oxo-5,6-dihydropyridine-3-carbonitrile, 5-{[5-(3-chlorophenyl)-2-furyl]methylene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydro-3-pyridinecarbonitrile, (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile, (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydropyridine-3-carbonitrile
| Molecular Formula | C18H11ClN2O3 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.47988 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0458 |
| Heavy Atoms | 24 |
| Complexity | 960.6387 |
Chemical Identifiers
| CAS Number | 6041-05-0 |
|---|---|
| SMILES | CC\1=C(C(=O)NC(=O)/C1=C\C2=CC=C(O2)C3=CC(=CC=C3)Cl)C#N |
Product Overview
A2498/0106254 (CAS 6041-05-0), with molecular formula C18H11ClN2O3 and molecular weight 338.05 g/mol. IUPAC: (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of A2498/0106254
Property Insights of A2498/0106254
The XLogP value of 3.47988 indicates that A2498/0106254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A2498/0106254. Following Lipinski's Rule of Five, A2498/0106254 has 1 hydrogen bond donor(s) and 4 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 A2498/0106254?
The CAS number of A2498/0106254 is 6041-05-0.
What is the molecular formula of A2498/0106254?
The molecular formula of A2498/0106254 is C18H11ClN2O3.
What is the molecular weight of A2498/0106254?
The molecular weight of A2498/0106254 is 338.05 g/mol.
Where can I buy A2498/0106254?
You can request a quote for A2498/0106254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2498/0106254?
Yes, KEHONG BIO provides custom synthesis services for A2498/0106254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.