J3.546.751C
TL;DR: J3.546.751C (CAS 442522-73-8) is a chemical compound with molecular formula C20H20N6O and molecular weight 360.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: J3.546.751C, 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 1-(4H-1,2,4-triazol-3-yl)-2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,7,8-pentah ydroquinoline-3-carbonitrile, 1-(4H-1,2,4-Triazole-3-yl)-2-amino-4-phenyl-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C20H20N6O |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 2.74558 |
| Topological Polar Surface Area | 111.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.16986 |
| Heavy Atoms | 27 |
| Complexity | 994.84784 |
Chemical Identifiers
| CAS Number | 442522-73-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
J3.546.751C (CAS 442522-73-8), with molecular formula C20H20N6O and molecular weight 360.17 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of J3.546.751C
Property Insights of J3.546.751C
The XLogP value of 2.74558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.546.751C. The TPSA of 111.69 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.546.751C. Following Lipinski's Rule of Five, J3.546.751C 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 J3.546.751C?
The CAS number of J3.546.751C is 442522-73-8.
What is the molecular formula of J3.546.751C?
The molecular formula of J3.546.751C is C20H20N6O.
What is the molecular weight of J3.546.751C?
The molecular weight of J3.546.751C is 360.17 g/mol.
Where can I buy J3.546.751C?
You can request a quote for J3.546.751C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.546.751C?
Yes, KEHONG BIO provides custom synthesis services for J3.546.751C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.