ChemDiv3_001133
TL;DR: ChemDiv3_001133 (CAS 313275-40-0) is a chemical compound with molecular formula C24H22N4O3 and molecular weight 414.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)-[1-(2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]methanone
Also Known As: ChemDiv3_001133, IDI1_020099, F0015-0639, 7-(4-methoxybenzoyl)-3-(2,4,6-trimethylphenyl)-5-oxa-2,4,6,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,9,11-tetraene, (4-methoxyphenyl)-[1-(2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]methanone
| Molecular Formula | C24H22N4O3 |
|---|---|
| Molecular Weight | 414.17 g/mol |
| LogP | 4.52626 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1692 |
| Heavy Atoms | 31 |
| Complexity | 1196.7441 |
Chemical Identifiers
| CAS Number | 313275-40-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=NON3N2C4=CC=CC=C4N3C(=O)C5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv3_001133 (CAS 313275-40-0), with molecular formula C24H22N4O3 and molecular weight 414.17 g/mol. IUPAC: (4-methoxyphenyl)-[1-(2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]methanone.
Chemical Property Profile of ChemDiv3_001133
Property Insights of ChemDiv3_001133
The XLogP value of 4.52626 indicates that ChemDiv3_001133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, ChemDiv3_001133 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001133 has 0 hydrogen bond donor(s) and 6 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_001133?
The CAS number of ChemDiv3_001133 is 313275-40-0.
What is the molecular formula of ChemDiv3_001133?
The molecular formula of ChemDiv3_001133 is C24H22N4O3.
What is the molecular weight of ChemDiv3_001133?
The molecular weight of ChemDiv3_001133 is 414.17 g/mol.
Where can I buy ChemDiv3_001133?
You can request a quote for ChemDiv3_001133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001133?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.