ChemDiv1_016451
TL;DR: ChemDiv1_016451 (CAS 879436-86-9) is a chemical compound with molecular formula C20H24N4O4 and molecular weight 384.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-9-(2,3,4-trimethoxyphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: ChemDiv1_016451, BAS 07529366, 6,6-dimethyl-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6,6-Dimethyl-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6,6-dimethyl-9-(2,3,4-trimethoxyphenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C20H24N4O4 |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 2.962 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.17975 |
| Heavy Atoms | 28 |
| Complexity | 976.58044 |
Chemical Identifiers
| CAS Number | 879436-86-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC=N3)N2)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)C1)C |
Product Overview
ChemDiv1_016451 (CAS 879436-86-9), with molecular formula C20H24N4O4 and molecular weight 384.18 g/mol. IUPAC: 6,6-dimethyl-9-(2,3,4-trimethoxyphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of ChemDiv1_016451
Property Insights of ChemDiv1_016451
The XLogP value of 2.962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_016451. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016451. Following Lipinski's Rule of Five, ChemDiv1_016451 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_016451?
The CAS number of ChemDiv1_016451 is 879436-86-9.
What is the molecular formula of ChemDiv1_016451?
The molecular formula of ChemDiv1_016451 is C20H24N4O4.
What is the molecular weight of ChemDiv1_016451?
The molecular weight of ChemDiv1_016451 is 384.18 g/mol.
Where can I buy ChemDiv1_016451?
You can request a quote for ChemDiv1_016451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016451?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.