亚硝化氯氮䓬
TL;DR: 亚硝化氯氮䓬 (CAS 104639-49-8) is a chemical compound with molecular formula C16H14ClN4NaO3 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硝化氯氮䓬
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)
| Molecular Formula | C16H14ClN4NaO3 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.06522 |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 104639-49-8 |
|---|---|
| SMILES | CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.N(=O)[O-].[Na+] |
| InChIKey | LAIFZCSWFSVJQD-UHFFFAOYSA-M |
Product Overview
亚硝化氯氮䓬 (CAS 104639-49-8), with molecular formula C16H14ClN4NaO3 and molecular weight 368.07 g/mol. IUPAC: sodium;7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;nitrite.
Chemical Property Profile of 亚硝化氯氮䓬
Property Insights of 亚硝化氯氮䓬
The XLogP value of -0.9 indicates that 亚硝化氯氮䓬 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 亚硝化氯氮䓬. Following Lipinski's Rule of Five, 亚硝化氯氮䓬 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
Frequently Asked Questions
What is the CAS number of 亚硝化氯氮䓬?
The CAS number of 亚硝化氯氮䓬 is 104639-49-8.
What is the molecular formula of 亚硝化氯氮䓬?
The molecular formula of 亚硝化氯氮䓬 is C16H14ClN4NaO3.
What is the molecular weight of 亚硝化氯氮䓬?
The molecular weight of 亚硝化氯氮䓬 is 368.07 g/mol.
Where can I buy 亚硝化氯氮䓬?
You can request a quote for 亚硝化氯氮䓬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硝化氯氮䓬?
Yes, KEHONG BIO provides custom synthesis services for 亚硝化氯氮䓬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.