1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane
TL;DR: 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane (CAS 357188-23-9) is a chemical compound with molecular formula C21H25N5O6 and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]methanone
Also Known As: 1-{4-(dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane, [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]methanone
| Molecular Formula | C21H25N5O6 |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 2.9301 |
| Topological Polar Surface Area | 122.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.18048 |
| Heavy Atoms | 32 |
| Complexity | 1024.0854 |
Chemical Identifiers
| CAS Number | 357188-23-9 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CCCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane (CAS 357188-23-9), with molecular formula C21H25N5O6 and molecular weight 443.18 g/mol. IUPAC: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]methanone.
Chemical Property Profile of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane
Property Insights of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane
The XLogP value of 2.9301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane. The TPSA of 122.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane. Following Lipinski's Rule of Five, 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane has 0 hydrogen bond donor(s) and 8 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 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane?
The CAS number of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane is 357188-23-9.
What is the molecular formula of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane?
The molecular formula of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane is C21H25N5O6.
What is the molecular weight of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane?
The molecular weight of 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane is 443.18 g/mol.
Where can I buy 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane?
You can request a quote for 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}-4-{4-nitrophenyl}-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.