Chlordiazepoxide, nitrosated
TL;DR: Chlordiazepoxide, nitrosated (CAS 104639-49-8) is a chemical compound with molecular formula C16H14ClN4NaO3 and molecular weight 368.06522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium;7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;nitrite
Also Known As: Chlordiazepoxide, nitrosated, Chlordiazepoxide mixed with sodium nitrite (1:1), Sodium nitrite mixed with chlordiazepoxide (1:1), 3H-1,4-Benzodiazepine, 7-chloro-2-methylamino-5-phenyl-, 4-oxide, mixed with sodium nitrite(1:1)
Technical Specifications
| Molecular Formula | C16H14ClN4NaO3 |
| Molecular Weight | 368.06522 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.06522 Da |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
| SMILES | CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.N(=O)[O-].[Na+] |
| InChIKey | LAIFZCSWFSVJQD-UHFFFAOYSA-M |
Chemical Property Profile of Chlordiazepoxide, nitrosated
Property Insights of Chlordiazepoxide, nitrosated
The XLogP value of -0.9 indicates that Chlordiazepoxide, nitrosated is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlordiazepoxide, nitrosated. Following Lipinski's Rule of Five, Chlordiazepoxide, nitrosated has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlordiazepoxide, nitrosated?
The CAS number of Chlordiazepoxide, nitrosated is 104639-49-8.
What is the molecular formula of Chlordiazepoxide, nitrosated?
The molecular formula of Chlordiazepoxide, nitrosated is C16H14ClN4NaO3.
What is the molecular weight of Chlordiazepoxide, nitrosated?
The molecular weight of Chlordiazepoxide, nitrosated is 368.06522 g/mol.
Where can I buy Chlordiazepoxide, nitrosated?
You can request a quote for Chlordiazepoxide, nitrosated directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlordiazepoxide, nitrosated?
Yes, CoreyChem provides custom synthesis services for Chlordiazepoxide, nitrosated and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.