7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime
TL;DR: 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime (CAS 58490-99-6) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
Also Known As: 7-Nitro-1-tetralone oxime, N-(7-nitro-1,2,3,4-tetrahydronaphthalen-1-ylidene)hydroxylamine, 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime, 7-nitro-3,4-dihydro-2H -naphthalen-1-one oxime, N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 58490-99-6 |
|---|---|
| SMILES | C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=NO)C1 |
| InChIKey | VPBBNFCFLAHMSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime (CAS 58490-99-6), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
Chemical Property Profile of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime
Property Insights of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime. Following Lipinski's Rule of Five, 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime has 1 hydrogen bond donor(s) and 4 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 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime?
The CAS number of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime is 58490-99-6.
What is the molecular formula of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime?
The molecular formula of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime is C10H10N2O3.
What is the molecular weight of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime?
The molecular weight of 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime is 206.07 g/mol.
Where can I buy 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime?
You can request a quote for 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-3,4-dihydro-2H-naphthalen-1-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.