RefChem:464129
TL;DR: RefChem:464129 (CAS 442522-85-2) 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-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AN-919/40736435, 2-AMINO-4-(4-BROMOPHENYL)-5-OXO-1-(1H-1,2,4-TRIAZOL-5-YL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-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 | 968.1103 |
Chemical Identifiers
| CAS Number | 442522-85-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
RefChem:464129 (CAS 442522-85-2), with molecular formula C18H15BrN6O and molecular weight 410.05 g/mol. IUPAC: 2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464129
Property Insights of RefChem:464129
The XLogP value of 2.87198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:464129. The TPSA of 111.69 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464129. Following Lipinski's Rule of Five, RefChem:464129 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 RefChem:464129?
The CAS number of RefChem:464129 is 442522-85-2.
What is the molecular formula of RefChem:464129?
The molecular formula of RefChem:464129 is C18H15BrN6O.
What is the molecular weight of RefChem:464129?
The molecular weight of RefChem:464129 is 410.05 g/mol.
Where can I buy RefChem:464129?
You can request a quote for RefChem:464129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464129?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.