3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide
TL;DR: 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide (CAS 342387-91-1) is a chemical compound with molecular formula C14H11N5O7 and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-3,5-dinitro-N-(4-nitrophenyl)benzamide
Also Known As: 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide, 2-(methylamino)-3,5-dinitro-N-(4-nitrophenyl)benzamide, AE-848/32735010, [2-(methylamino)-3,5-dinitrophenyl]-N-(4-nitrophenyl)carboxamide
| Molecular Formula | C14H11N5O7 |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.7052 |
| Topological Polar Surface Area | 170.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.06586 |
| Heavy Atoms | 26 |
| Complexity | 910.64685 |
Chemical Identifiers
| CAS Number | 342387-91-1 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide (CAS 342387-91-1), with molecular formula C14H11N5O7 and molecular weight 361.07 g/mol. IUPAC: 2-(methylamino)-3,5-dinitro-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide
Property Insights of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide
The XLogP value of 2.7052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide. The TPSA of 170.55 Ų indicates high polarity, suggesting 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide has 2 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 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide?
The CAS number of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide is 342387-91-1.
What is the molecular formula of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide?
The molecular formula of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide is C14H11N5O7.
What is the molecular weight of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide?
The molecular weight of 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide is 361.07 g/mol.
Where can I buy 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide?
You can request a quote for 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-bisnitro-N-{4-nitrophenyl}-2-(methylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.