RefChem:1097469
TL;DR: RefChem:1097469 (CAS 53072-50-7) is a chemical compound with molecular formula C21H15Cl3N4O2 and molecular weight 460.02606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride
Also Known As: Pyridinium, 4-carbamoyl-1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide,chloride, 4-CARBAMOYL-1-(7-CHLORO-5-(2-CHLOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL)PYRIDINIUM CHLORIDE, Pyridinium, 4-(aminocarbonyl)-1-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl]-, chloride
Technical Specifications
| Molecular Formula | C21H15Cl3N4O2 |
| Molecular Weight | 460.02606 g/mol |
| XLogP | 0.37 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.02606 Da |
| Heavy Atoms | 30 |
| Complexity | 665.0 |
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)[N+]4=CC=C(C=C4)C(=O)N)Cl.[Cl-] |
| InChIKey | DEVLSRYIZQUILC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1097469
Property Insights of RefChem:1097469
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097469. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097469. Following Lipinski's Rule of Five, RefChem:1097469 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1097469?
The CAS number of RefChem:1097469 is 53072-50-7.
What is the molecular formula of RefChem:1097469?
The molecular formula of RefChem:1097469 is C21H15Cl3N4O2.
What is the molecular weight of RefChem:1097469?
The molecular weight of RefChem:1097469 is 460.02606 g/mol.
Where can I buy RefChem:1097469?
You can request a quote for RefChem:1097469 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097469?
Yes, CoreyChem provides custom synthesis services for RefChem:1097469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.