N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
TL;DR: N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine (CAS 372495-79-9) is a chemical compound with molecular formula C13H8N4O5 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: AB00112425-01, N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine, N-(1,3-benzodioxol-5-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine, N-(benzo[d][1,3]dioxol-5-yl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine
| Molecular Formula | C13H8N4O5 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.6033 |
| Topological Polar Surface Area | 112.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.04947 |
| Heavy Atoms | 22 |
| Complexity | 891.2679 |
Chemical Identifiers
| CAS Number | 372495-79-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=CC=C(C4=NON=C34)[N+](=O)[O-] |
Product Overview
N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine (CAS 372495-79-9), with molecular formula C13H8N4O5 and molecular weight 300.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Property Insights of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
The XLogP value of 2.6033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine. The TPSA of 112.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine has 1 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 N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine is 372495-79-9.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine is C13H8N4O5.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine is 300.05 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
You can request a quote for N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.