ChemDiv1_020856
TL;DR: ChemDiv1_020856 (CAS 5644-58-6) is a chemical compound with molecular formula C23H18Cl2N4O2 and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dichlorophenyl)-[1-(2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]methanone
Also Known As: ChemDiv1_020856, (3,5-dichlorophenyl)-[1-(2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]methanone, (3,5-DICHLOROPHENYL)(3-MESITYL-9H-[1,2,3,5]OXATRIAZOLO[3,2-A][1,2,3]BENZOTRIAZOL-9-YL)METHANONE, (3,5-Dichlorophenyl)[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]methanone
| Molecular Formula | C23H18Cl2N4O2 |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 5.82446 |
| Topological Polar Surface Area | 48.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.0807 |
| Heavy Atoms | 31 |
| Complexity | 1230.9265 |
Chemical Identifiers
| CAS Number | 5644-58-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=NON3N2C4=CC=CC=C4N3C(=O)C5=CC(=CC(=C5)Cl)Cl)C |
Product Overview
ChemDiv1_020856 (CAS 5644-58-6), with molecular formula C23H18Cl2N4O2 and molecular weight 452.08 g/mol. IUPAC: (3,5-dichlorophenyl)-[1-(2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]methanone.
Chemical Property Profile of ChemDiv1_020856
Property Insights of ChemDiv1_020856
The XLogP value of 5.82446 indicates that ChemDiv1_020856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.38 Ų, ChemDiv1_020856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020856 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020856?
The CAS number of ChemDiv1_020856 is 5644-58-6.
What is the molecular formula of ChemDiv1_020856?
The molecular formula of ChemDiv1_020856 is C23H18Cl2N4O2.
What is the molecular weight of ChemDiv1_020856?
The molecular weight of ChemDiv1_020856 is 452.08 g/mol.
Where can I buy ChemDiv1_020856?
You can request a quote for ChemDiv1_020856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020856?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.