2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine
TL;DR: 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine (CAS 81864-31-5) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-nitro-1,3-benzodioxol-5-amine
Also Known As: 2,2-dimethyl-6-nitro-1,3-benzodioxol-5-amine, 2,2-Dimethyl-6-nitrobenzo[d][1,3]dioxol-5-amine, 2,2-dimethyl-5-amino-6-nitro-1,3-benzodioxole, AE-562/12222259
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.6843 |
| Topological Polar Surface Area | 87.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 441.98364 |
Chemical Identifiers
| CAS Number | 81864-31-5 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C(=C2)N)[N+](=O)[O-])C |
Product Overview
2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine (CAS 81864-31-5), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 2,2-dimethyl-6-nitro-1,3-benzodioxol-5-amine.
Chemical Property Profile of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine
Property Insights of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine
The XLogP value of 1.6843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine. The TPSA of 87.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine. Following Lipinski's Rule of Five, 2,2-Dimethyl-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 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine?
The CAS number of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine is 81864-31-5.
What is the molecular formula of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine?
The molecular formula of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine is C9H10N2O4.
What is the molecular weight of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine?
The molecular weight of 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine is 210.06 g/mol.
Where can I buy 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine?
You can request a quote for 2,2-Dimethyl-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 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.