N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide
TL;DR: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide (CAS 7519-37-1) is a chemical compound with molecular formula C20H20ClN3O2 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide
Also Known As: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide, N-(7-Chloro-4-oxo-5-phenyl-3H-1,4lambda~5~-benzodiazepin-2-yl)-N-methylbutanamide
| Molecular Formula | C20H20ClN3O2 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1244 |
| Heavy Atoms | 26 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 7519-37-1 |
|---|---|
| SMILES | CCCC(=O)N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3 |
| InChIKey | XSBANHHFPNZHDT-UHFFFAOYSA-N |
Product Overview
N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide (CAS 7519-37-1), with molecular formula C20H20ClN3O2 and molecular weight 369.12 g/mol. IUPAC: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide.
Chemical Property Profile of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide
Property Insights of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide
The XLogP value of 3.2 indicates that N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide. Following Lipinski's Rule of Five, N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide has 0 hydrogen bond donor(s) and 3 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 N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide?
The CAS number of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide is 7519-37-1.
What is the molecular formula of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide?
The molecular formula of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide is C20H20ClN3O2.
What is the molecular weight of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide?
The molecular weight of N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide is 369.12 g/mol.
Where can I buy N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide?
You can request a quote for N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.