![9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one structure](/static/products/4579/457951-35-8.webp)
9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one
TL;DR: 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one (CAS 457951-35-8) is a chemical compound with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: UPCMLD0ENAT5763092:001, BAS 03314070, J3.216.075A, 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one, 9-(4-chlorophenyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5,1-b]quinazolin-8-on e
| Molecular Formula | C15H13ClN4O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.9535 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0778 |
| Heavy Atoms | 21 |
| Complexity | 747.28906 |
Chemical Identifiers
| CAS Number | 457951-35-8 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC=N3)N2)C4=CC=C(C=C4)Cl)C(=O)C1 |
Product Overview
9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one (CAS 457951-35-8), with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol. IUPAC: 9-(4-chlorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one
Property Insights of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one
The XLogP value of 2.9535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one. With a topological polar surface area (TPSA) of 59.81 Ų, 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one has 1 hydrogen bond donor(s) and 4 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 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one?
The CAS number of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one is 457951-35-8.
What is the molecular formula of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one?
The molecular formula of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one is C15H13ClN4O.
What is the molecular weight of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one?
The molecular weight of 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one is 300.08 g/mol.
Where can I buy 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one?
You can request a quote for 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazoline-8(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.