1-(Dimethoxymethyl)-4-nitrobenzene
TL;DR: 1-(Dimethoxymethyl)-4-nitrobenzene (CAS 881-67-4) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethoxymethyl)-4-nitrobenzene
Also Known As: 1-(dimethoxymethyl)-4-nitrobenzene, 1-Dimethoxymethyl-4-nitrobenzene, 4-nitrobenzaldehyde dimethyl acetal, 1-Nitro-4-dimethoxymethylbenzene, Benzene, 1-(dimethoxymethyl)-4-nitro-
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 881-67-4 |
|---|---|
| SMILES | COC(C1=CC=C(C=C1)[N+](=O)[O-])OC |
| InChIKey | MFVJTNDASLLDEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Dimethoxymethyl)-4-nitrobenzene (CAS 881-67-4), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 1-(dimethoxymethyl)-4-nitrobenzene.
Chemical Property Profile of 1-(Dimethoxymethyl)-4-nitrobenzene
Property Insights of 1-(Dimethoxymethyl)-4-nitrobenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dimethoxymethyl)-4-nitrobenzene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Dimethoxymethyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Dimethoxymethyl)-4-nitrobenzene 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-(Dimethoxymethyl)-4-nitrobenzene?
The CAS number of 1-(Dimethoxymethyl)-4-nitrobenzene is 881-67-4.
What is the molecular formula of 1-(Dimethoxymethyl)-4-nitrobenzene?
The molecular formula of 1-(Dimethoxymethyl)-4-nitrobenzene is C9H11NO4.
What is the molecular weight of 1-(Dimethoxymethyl)-4-nitrobenzene?
The molecular weight of 1-(Dimethoxymethyl)-4-nitrobenzene is 197.07 g/mol.
Where can I buy 1-(Dimethoxymethyl)-4-nitrobenzene?
You can request a quote for 1-(Dimethoxymethyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dimethoxymethyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dimethoxymethyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.