ChemDiv3_004710
TL;DR: ChemDiv3_004710 (CAS 488089-99-2) 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.
10-benzyl-5-[(2-methylphenoxy)methyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv3_004710, IDI1_022620, 7-benzyl-3-((o-tolyloxy)methyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 7-benzyl-3-[(2-methylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, (7-BENZYL-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-YL)METHYL (2-METHYLPHENYL) ETHER
| Molecular Formula | C21H18N6O |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 3.40972 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1542 |
| Heavy Atoms | 28 |
| Complexity | 1258.1239 |
Chemical Identifiers
| CAS Number | 488089-99-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C3N2C=NC4=C3C=NN4CC5=CC=CC=C5 |
Product Overview
ChemDiv3_004710 (CAS 488089-99-2), with molecular formula C21H18N6O and molecular weight 370.15 g/mol. IUPAC: 10-benzyl-5-[(2-methylphenoxy)methyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of ChemDiv3_004710
Property Insights of ChemDiv3_004710
The XLogP value of 3.40972 indicates that ChemDiv3_004710 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 ChemDiv3_004710. Following Lipinski's Rule of Five, ChemDiv3_004710 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 ChemDiv3_004710?
The CAS number of ChemDiv3_004710 is 488089-99-2.
What is the molecular formula of ChemDiv3_004710?
The molecular formula of ChemDiv3_004710 is C21H18N6O.
What is the molecular weight of ChemDiv3_004710?
The molecular weight of ChemDiv3_004710 is 370.15 g/mol.
Where can I buy ChemDiv3_004710?
You can request a quote for ChemDiv3_004710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004710?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.