ChemDiv3_006702
TL;DR: ChemDiv3_006702 (CAS 669718-08-5) is a chemical compound with molecular formula C17H18N4O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
Also Known As: ChemDiv3_006702, IDI1_024612, 3-[(4-methoxyphenyl)methyl]-4,10-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazole, 1,2,3,4-Tetrahydro-3-[(4-methoxyphenyl)methyl]-1,3,5-triazino[1,2-a]benzimidazole, 3-(4-Methoxy-benzyl)-1,2,3,4-tetrahydro-benzo[4,5]imidazo[1,2-a][1,3,5]triazine
| Molecular Formula | C17H18N4O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 2.8876 |
| Topological Polar Surface Area | 42.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.14807 |
| Heavy Atoms | 22 |
| Complexity | 794.02905 |
Chemical Identifiers
| CAS Number | 669718-08-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CNC3=NC4=CC=CC=C4N3C2 |
Product Overview
ChemDiv3_006702 (CAS 669718-08-5), with molecular formula C17H18N4O and molecular weight 294.15 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.
Chemical Property Profile of ChemDiv3_006702
Property Insights of ChemDiv3_006702
The XLogP value of 2.8876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006702. With a topological polar surface area (TPSA) of 42.32 Ų, ChemDiv3_006702 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006702 has 1 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_006702?
The CAS number of ChemDiv3_006702 is 669718-08-5.
What is the molecular formula of ChemDiv3_006702?
The molecular formula of ChemDiv3_006702 is C17H18N4O.
What is the molecular weight of ChemDiv3_006702?
The molecular weight of ChemDiv3_006702 is 294.15 g/mol.
Where can I buy ChemDiv3_006702?
You can request a quote for ChemDiv3_006702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006702?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.