ChemDiv3_010407
TL;DR: ChemDiv3_010407 (CAS 847382-08-5) is a chemical compound with molecular formula C20H19N5O and molecular weight 345.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: ChemDiv3_010407, 6-(3-methylbenzyl)-3-(4-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, AO-476/43407142, BRD-K74577454-001-01-2, 6-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C20H19N5O |
|---|---|
| Molecular Weight | 345.16 g/mol |
| LogP | 2.70144 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.15897 |
| Heavy Atoms | 26 |
| Complexity | 1125.113 |
Chemical Identifiers
| CAS Number | 847382-08-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=CC(=C4)C)N=N2 |
Product Overview
ChemDiv3_010407 (CAS 847382-08-5), with molecular formula C20H19N5O and molecular weight 345.16 g/mol. IUPAC: 6-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of ChemDiv3_010407
Property Insights of ChemDiv3_010407
The XLogP value of 2.70144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010407. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010407. Following Lipinski's Rule of Five, ChemDiv3_010407 has 0 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 ChemDiv3_010407?
The CAS number of ChemDiv3_010407 is 847382-08-5.
What is the molecular formula of ChemDiv3_010407?
The molecular formula of ChemDiv3_010407 is C20H19N5O.
What is the molecular weight of ChemDiv3_010407?
The molecular weight of ChemDiv3_010407 is 345.16 g/mol.
Where can I buy ChemDiv3_010407?
You can request a quote for ChemDiv3_010407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010407?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.