AN-919/40736691
TL;DR: AN-919/40736691 (CAS 442523-47-9) is a chemical compound with molecular formula C20H20N6O3 and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AN-919/40736691, 2-AMINO-4-(2,5-DIMETHOXYPHENYL)-5-OXO-1-(1H-1,2,4-TRIAZOL-5-YL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C20H20N6O3 |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 2.12668 |
| Topological Polar Surface Area | 130.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1597 |
| Heavy Atoms | 29 |
| Complexity | 1064.3809 |
Chemical Identifiers
| CAS Number | 442523-47-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NC=NN4)N)C#N |
Product Overview
AN-919/40736691 (CAS 442523-47-9), with molecular formula C20H20N6O3 and molecular weight 392.16 g/mol. IUPAC: 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of AN-919/40736691
Property Insights of AN-919/40736691
The XLogP value of 2.12668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-919/40736691. The TPSA of 130.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40736691. Following Lipinski's Rule of Five, AN-919/40736691 has 2 hydrogen bond donor(s) and 8 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-919/40736691?
The CAS number of AN-919/40736691 is 442523-47-9.
What is the molecular formula of AN-919/40736691?
The molecular formula of AN-919/40736691 is C20H20N6O3.
What is the molecular weight of AN-919/40736691?
The molecular weight of AN-919/40736691 is 392.16 g/mol.
Where can I buy AN-919/40736691?
You can request a quote for AN-919/40736691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40736691?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40736691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.