AN-329/41028168
TL;DR: AN-329/41028168 (CAS 198067-86-6) is a chemical compound with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-oxo-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carbonitrile
Also Known As: AN-329/41028168, 4,6-dimethyl-2-oxo-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carbonitrile, 4,6-dimethyl-2-oxo-1-{[(1E)-(3,4,5-trimethoxyphenyl)methylene]amino}-1,2-dihydropyridine-3-carbonitrile, 4,6-dimethyl-2-oxo-1-[(3,4,5-trimethoxybenzylidene)amino]-1,2-dihydro-3-pyridinecarbonitrile, 4,6-dimethyl-2-oxo-1-[(3,4,5-trimethoxybenzylidene)amino]-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C18H19N3O4 |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 2.24482 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.13754 |
| Heavy Atoms | 25 |
| Complexity | 898.1343 |
Chemical Identifiers
| CAS Number | 198067-86-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1/N=C/C2=CC(=C(C(=C2)OC)OC)OC)C#N)C |
Product Overview
AN-329/41028168 (CAS 198067-86-6), with molecular formula C18H19N3O4 and molecular weight 341.14 g/mol. IUPAC: 4,6-dimethyl-2-oxo-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carbonitrile.
Chemical Property Profile of AN-329/41028168
Property Insights of AN-329/41028168
The XLogP value of 2.24482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/41028168. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41028168. Following Lipinski's Rule of Five, AN-329/41028168 has 0 hydrogen bond donor(s) and 6 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-329/41028168?
The CAS number of AN-329/41028168 is 198067-86-6.
What is the molecular formula of AN-329/41028168?
The molecular formula of AN-329/41028168 is C18H19N3O4.
What is the molecular weight of AN-329/41028168?
The molecular weight of AN-329/41028168 is 341.14 g/mol.
Where can I buy AN-329/41028168?
You can request a quote for AN-329/41028168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41028168?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41028168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.