AN-329/40602088
TL;DR: AN-329/40602088 (CAS 328025-89-4) is a chemical compound with molecular formula C15H11ClN4O3 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: AN-329/40602088, 1-({4-chloro-3-nitrobenzylidene}amino)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile, 1-[(4-chloro-3-nitrobenzylidene)amino]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 1-{[(1E)-(4-chloro-3-nitrophenyl)methylene]amino}-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C15H11ClN4O3 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 2.78062 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05197 |
| Heavy Atoms | 23 |
| Complexity | 925.54 |
Chemical Identifiers
| CAS Number | 328025-89-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N)C |
Product Overview
AN-329/40602088 (CAS 328025-89-4), with molecular formula C15H11ClN4O3 and molecular weight 330.05 g/mol. IUPAC: 1-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of AN-329/40602088
Property Insights of AN-329/40602088
The XLogP value of 2.78062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/40602088. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40602088. Following Lipinski's Rule of Five, AN-329/40602088 has 0 hydrogen bond donor(s) and 5 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 AN-329/40602088?
The CAS number of AN-329/40602088 is 328025-89-4.
What is the molecular formula of AN-329/40602088?
The molecular formula of AN-329/40602088 is C15H11ClN4O3.
What is the molecular weight of AN-329/40602088?
The molecular weight of AN-329/40602088 is 330.05 g/mol.
Where can I buy AN-329/40602088?
You can request a quote for AN-329/40602088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40602088?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40602088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.