AN-919/40736709
TL;DR: AN-919/40736709 (CAS 442523-66-2) is a chemical compound with molecular formula C18H15BrN6O and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AN-919/40736709, 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C18H15BrN6O |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 2.87198 |
| Topological Polar Surface Area | 111.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.04907 |
| Heavy Atoms | 26 |
| Complexity | 985.3603 |
Chemical Identifiers
| CAS Number | 442523-66-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)Br)C(=O)C1 |
Product Overview
AN-919/40736709 (CAS 442523-66-2), with molecular formula C18H15BrN6O and molecular weight 410.05 g/mol. IUPAC: 2-amino-4-(3-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of AN-919/40736709
Property Insights of AN-919/40736709
The XLogP value of 2.87198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-919/40736709. The TPSA of 111.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40736709. Following Lipinski's Rule of Five, AN-919/40736709 has 2 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-919/40736709?
The CAS number of AN-919/40736709 is 442523-66-2.
What is the molecular formula of AN-919/40736709?
The molecular formula of AN-919/40736709 is C18H15BrN6O.
What is the molecular weight of AN-919/40736709?
The molecular weight of AN-919/40736709 is 410.05 g/mol.
Where can I buy AN-919/40736709?
You can request a quote for AN-919/40736709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40736709?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40736709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.