RefChem:377014
TL;DR: RefChem:377014 (CAS 52995-74-1) is a chemical compound with molecular formula C25H24Cl2N4O2 and molecular weight 482.12762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-N,N-diethylpyridin-1-ium-3-carboxamide chloride
Also Known As: KST-1B5053, Pyridinium, 1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-3-(diethylcarbamoyl)-, chloride, 1-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)-3-(diethylcarbamoyl)pyridinium chloride, Pyridinium,1-(7-chloro-5-(2-chlorophenyl)-2-oxo-1,4-benzodiazipin-3-yl)-,chloride, 1-(7-CHLORO-2,3-DIHYDRO-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL)-3-(DIETHYLCARBAMOYL)PYRIDINIUM CHLORIDE
Technical Specifications
| Molecular Formula | C25H24Cl2N4O2 |
| Molecular Weight | 482.12762 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.12762 Da |
| Heavy Atoms | 33 |
| Complexity | 704.0 |
| SMILES | CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-] |
| InChIKey | OPXDCLLLVPPBHM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:377014
Property Insights of RefChem:377014
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377014. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377014. Following Lipinski's Rule of Five, RefChem:377014 has 1 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:377014?
The CAS number of RefChem:377014 is 52995-74-1.
What is the molecular formula of RefChem:377014?
The molecular formula of RefChem:377014 is C25H24Cl2N4O2.
What is the molecular weight of RefChem:377014?
The molecular weight of RefChem:377014 is 482.12762 g/mol.
Where can I buy RefChem:377014?
You can request a quote for RefChem:377014 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:377014?
Yes, CoreyChem provides custom synthesis services for RefChem:377014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.