N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
TL;DR: N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine (CAS 201015-55-6) is a chemical compound with molecular formula C8H6N2O5 and molecular weight 210.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
Also Known As: 6-nitro-1,3-benzodioxole-5-carbaldehyde oxime, N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine, BAS 00596239, 3,4-(methylenedioxy)-6-nitrobenzaldehyde oxime, 6-Nitro-benzo[1,3]dioxole-5-carbaldehyde oxime
| Molecular Formula | C8H6N2O5 |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 1.1316 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.02766 |
| Heavy Atoms | 15 |
| Complexity | 442.90332 |
Chemical Identifiers
| CAS Number | 201015-55-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=N/O)[N+](=O)[O-] |
Product Overview
N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine (CAS 201015-55-6), with molecular formula C8H6N2O5 and molecular weight 210.03 g/mol. IUPAC: (NE)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydroxylamine.
Chemical Property Profile of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
Property Insights of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
The XLogP value of 1.1316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine. Following Lipinski's Rule of Five, N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine has 1 hydrogen bond donor(s) and 6 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-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The CAS number of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is 201015-55-6.
What is the molecular formula of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The molecular formula of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is C8H6N2O5.
What is the molecular weight of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The molecular weight of N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is 210.03 g/mol.
Where can I buy N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
You can request a quote for N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
Yes, KEHONG BIO provides custom synthesis services for N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydroxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.