ChemDiv2_001181
TL;DR: ChemDiv2_001181 (CAS 489442-48-0) is a chemical compound with molecular formula C15H14N6O and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-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: ChemDiv2_001181, A3420/0145099, 7-methyl-3-((o-tolyloxy)methyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 7-methyl-3-[(2-methylphenoxy)methyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 2-METHYLPHENYL [(7-METHYL-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-YL)METHYL] ETHER
| Molecular Formula | C15H14N6O |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.1229 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 489442-48-0 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C3N2C=NC4=C3C=NN4C |
| InChIKey | CAESXNDQXKIBKB-UHFFFAOYSA-N |
Product Overview
ChemDiv2_001181 (CAS 489442-48-0), with molecular formula C15H14N6O and molecular weight 294.12 g/mol. IUPAC: 10-methyl-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 ChemDiv2_001181
Property Insights of ChemDiv2_001181
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001181. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001181. Following Lipinski's Rule of Five, ChemDiv2_001181 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_001181?
The CAS number of ChemDiv2_001181 is 489442-48-0.
What is the molecular formula of ChemDiv2_001181?
The molecular formula of ChemDiv2_001181 is C15H14N6O.
What is the molecular weight of ChemDiv2_001181?
The molecular weight of ChemDiv2_001181 is 294.12 g/mol.
Where can I buy ChemDiv2_001181?
You can request a quote for ChemDiv2_001181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001181?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.