1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-
TL;DR: 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- (CAS 101931-39-9) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(dimethylaminomethylidene)-7-nitro-3,4-dihydronaphthalen-1-one
Also Known As: 3,4-Dihydro-2-(dimethylaminomethylene)-7-nitro-1(2H)-naphthalenone, 1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-2-(DIMETHYLAMINOMETHYLENE)-7-NITRO-, (2E)-2-(dimethylaminomethylidene)-7-nitro-3,4-dihydronaphthalen-1-one, RefChem:1051400
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.1692 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 547.16736 |
Chemical Identifiers
| CAS Number | 101931-39-9 |
|---|---|
| SMILES | CN(C)/C=C/1\CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
Product Overview
1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- (CAS 101931-39-9), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: (2E)-2-(dimethylaminomethylidene)-7-nitro-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-
Property Insights of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-
The XLogP value of 2.1692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-. Following Lipinski's Rule of Five, 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- has 0 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 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-?
The CAS number of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- is 101931-39-9.
What is the molecular formula of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-?
The molecular formula of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- is C13H14N2O3.
What is the molecular weight of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-?
The molecular weight of 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- is 246.10 g/mol.
Where can I buy 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-?
You can request a quote for 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Naphthalenone, 3,4-dihydro-2-(dimethylaminomethylene)-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.