ChemDiv3_004842
TL;DR: ChemDiv3_004842 (CAS 587005-76-3) is a chemical compound with molecular formula C22H20N6O and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dimethylphenoxy)methyl]-10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv3_004842, IDI1_022752, BRD-K29577054-001-01-2, 2,6-DIMETHYLPHENYL {[7-(3-METHYLPHENYL)-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} ETHER, 2-((2,6-dimethylphenoxy)methyl)-7-(m-tolyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C22H20N6O |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 3.96746 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.16986 |
| Heavy Atoms | 29 |
| Complexity | 1330.2059 |
Chemical Identifiers
| CAS Number | 587005-76-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)COC5=C(C=CC=C5C)C |
Product Overview
ChemDiv3_004842 (CAS 587005-76-3), with molecular formula C22H20N6O and molecular weight 384.17 g/mol. IUPAC: 4-[(2,6-dimethylphenoxy)methyl]-10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of ChemDiv3_004842
Property Insights of ChemDiv3_004842
The XLogP value of 3.96746 indicates that ChemDiv3_004842 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_004842. Following Lipinski's Rule of Five, ChemDiv3_004842 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_004842?
The CAS number of ChemDiv3_004842 is 587005-76-3.
What is the molecular formula of ChemDiv3_004842?
The molecular formula of ChemDiv3_004842 is C22H20N6O.
What is the molecular weight of ChemDiv3_004842?
The molecular weight of ChemDiv3_004842 is 384.17 g/mol.
Where can I buy ChemDiv3_004842?
You can request a quote for ChemDiv3_004842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004842?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.