6-Nitro-1,3-benzodioxol-5-amine
TL;DR: 6-Nitro-1,3-benzodioxol-5-amine (CAS 64993-07-3) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1,3-benzodioxol-5-amine
Also Known As: 6-Nitro-1,3-benzodioxol-5-amine, 6-nitro-2H-1,3-benzodioxol-5-amine, nitrobenzodioxolamine, 6-nitrobenzo[d][1,3]dioxol-5-amine, 5-amino-6-nitro-1,3-benzodioxole
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 64993-07-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)N)[N+](=O)[O-] |
| InChIKey | TXZJXBGDLONQGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-1,3-benzodioxol-5-amine (CAS 64993-07-3), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: 6-nitro-1,3-benzodioxol-5-amine.
Chemical Property Profile of 6-Nitro-1,3-benzodioxol-5-amine
Property Insights of 6-Nitro-1,3-benzodioxol-5-amine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1,3-benzodioxol-5-amine. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1,3-benzodioxol-5-amine. Following Lipinski's Rule of Five, 6-Nitro-1,3-benzodioxol-5-amine has 1 hydrogen bond donor(s) and 5 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 6-Nitro-1,3-benzodioxol-5-amine?
The CAS number of 6-Nitro-1,3-benzodioxol-5-amine is 64993-07-3.
What is the molecular formula of 6-Nitro-1,3-benzodioxol-5-amine?
The molecular formula of 6-Nitro-1,3-benzodioxol-5-amine is C7H6N2O4.
What is the molecular weight of 6-Nitro-1,3-benzodioxol-5-amine?
The molecular weight of 6-Nitro-1,3-benzodioxol-5-amine is 182.03 g/mol.
Where can I buy 6-Nitro-1,3-benzodioxol-5-amine?
You can request a quote for 6-Nitro-1,3-benzodioxol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.