N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
TL;DR: N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 33984-50-8) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: 4-(4-Methoxybenzylamino)-7-nitrobenzofurazan, t56 bnonj fnw im1r do1[wln], 7-(4-Methoxybenzylamino)-4-nitrobenzoxadiazole, MBD, N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 33984-50-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | IENONFJSMWUIQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 33984-50-8), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Property Insights of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine has 1 hydrogen bond donor(s) and 7 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-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 33984-50-8.
What is the molecular formula of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is C14H12N4O4.
What is the molecular weight of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 300.09 g/mol.
Where can I buy N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Methoxyphenyl)methyl)-7-nitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.