ChemDiv2_001401
TL;DR: ChemDiv2_001401 (CAS 496798-18-6) is a chemical compound with molecular formula C21H18N6O and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methyl]-10-(4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv2_001401, 3-(4-methoxybenzyl)-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-(4-methoxybenzyl)-7-(p-tolyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H18N6O |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.37102 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.1542 |
| Heavy Atoms | 28 |
| Complexity | 1268.5083 |
Chemical Identifiers
| CAS Number | 496798-18-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)CC5=CC=C(C=C5)OC |
Product Overview
ChemDiv2_001401 (CAS 496798-18-6), with molecular formula C21H18N6O and molecular weight 370.15 g/mol. IUPAC: 5-[(4-methoxyphenyl)methyl]-10-(4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of ChemDiv2_001401
Property Insights of ChemDiv2_001401
The XLogP value of 3.37102 indicates that ChemDiv2_001401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001401. Following Lipinski's Rule of Five, ChemDiv2_001401 has 0 hydrogen bond donor(s) and 5 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 ChemDiv2_001401?
The CAS number of ChemDiv2_001401 is 496798-18-6.
What is the molecular formula of ChemDiv2_001401?
The molecular formula of ChemDiv2_001401 is C21H18N6O.
What is the molecular weight of ChemDiv2_001401?
The molecular weight of ChemDiv2_001401 is 370.15 g/mol.
Where can I buy ChemDiv2_001401?
You can request a quote for ChemDiv2_001401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001401?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.