ChemDiv1_019090
TL;DR: ChemDiv1_019090 (CAS 312914-61-7) is a chemical compound with molecular formula C26H24Cl2N4O5 and molecular weight 542.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3,5-dichloro-2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: ChemDiv1_019090, F0014-1210, (3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-benzo[4,5][1,2,3]triazolo[2,1-b][1,2,3,5]oxatriazol-9-yl)(3,4,5-trimethoxyphenyl)methanone, [1-(3,5-dichloro-2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone, [3-(3,5-DICHLORO-2,4,6-TRIMETHYLPHENYL)-9H-[1,2,3,5]OXATRIAZOLO[3,2-A][1,2,3]BENZOTRIAZOL-9-YL](3,4,5-TRIMETHOXYPHENYL)METHANONE
| Molecular Formula | C26H24Cl2N4O5 |
|---|---|
| Molecular Weight | 542.11 g/mol |
| LogP | 5.85026 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.11237 |
| Heavy Atoms | 37 |
| Complexity | 1421.5516 |
Chemical Identifiers
| CAS Number | 312914-61-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)C)Cl)C)C2=NON3N2C4=CC=CC=C4N3C(=O)C5=CC(=C(C(=C5)OC)OC)OC |
Product Overview
ChemDiv1_019090 (CAS 312914-61-7), with molecular formula C26H24Cl2N4O5 and molecular weight 542.11 g/mol. IUPAC: [1-(3,5-dichloro-2,4,6-trimethylphenyl)-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_019090
Property Insights of ChemDiv1_019090
The XLogP value of 5.85026 indicates that ChemDiv1_019090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019090. Following Lipinski's Rule of Five, ChemDiv1_019090 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019090?
The CAS number of ChemDiv1_019090 is 312914-61-7.
What is the molecular formula of ChemDiv1_019090?
The molecular formula of ChemDiv1_019090 is C26H24Cl2N4O5.
What is the molecular weight of ChemDiv1_019090?
The molecular weight of ChemDiv1_019090 is 542.11 g/mol.
Where can I buy ChemDiv1_019090?
You can request a quote for ChemDiv1_019090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019090?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.