RefChem:1093398
TL;DR: RefChem:1093398 (CAS 74039-54-6) is a chemical compound with molecular formula C30H30Cl3N7O3 and molecular weight 641.1476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N,6-N,10-N-tris(2-chlorophenyl)-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
Also Known As: 1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxamide, N,N',N''-tris(2-chlorophenyl)hexahydro-, 1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide, 2',2'',2'''-trichloro-3,3a,6,6a,9,9a-hexahydro-, 1,4,7, 9b-Tetraazaphenalene-1,4,7 (2H,5H,8H)-tricarboxamide,, n,n',n''-tris(2-chlorophenyl)hexahydro-1,4,7,9b-tetraazaphenalene-1,4,7(2h,5h,8h)-tricarboxamide, N~1~,N~4~,N~7~-Tris(2-chlorophenyl)hexahydro-1,4,7,9b-tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboximidic acid
Technical Specifications
| Molecular Formula | C30H30Cl3N7O3 |
| Molecular Weight | 641.1476 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 641.1476 Da |
| Heavy Atoms | 43 |
| Complexity | 902.0 |
| SMILES | C1CN(C2CCN(C3N2C1N(CC3)C(=O)NC4=CC=CC=C4Cl)C(=O)NC5=CC=CC=C5Cl)C(=O)NC6=CC=CC=C6Cl |
| InChIKey | VHRIZTSUMMLCFP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1093398
Property Insights of RefChem:1093398
The XLogP value of 5.7 indicates that RefChem:1093398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1093398. Following Lipinski's Rule of Five, RefChem:1093398 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1093398?
The CAS number of RefChem:1093398 is 74039-54-6.
What is the molecular formula of RefChem:1093398?
The molecular formula of RefChem:1093398 is C30H30Cl3N7O3.
What is the molecular weight of RefChem:1093398?
The molecular weight of RefChem:1093398 is 641.1476 g/mol.
Where can I buy RefChem:1093398?
You can request a quote for RefChem:1093398 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1093398?
Yes, CoreyChem provides custom synthesis services for RefChem:1093398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.