Benzene, 5-methoxy-1,3-dimethyl-2-nitro-
TL;DR: Benzene, 5-methoxy-1,3-dimethyl-2-nitro- (CAS 61019-03-2) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1,3-dimethyl-2-nitrobenzene
Also Known As: 5-methoxy-1,3-dimethyl-2-nitrobenzene, 3,5-dimethyl-4-nitroanisole, Benzene, 5-methoxy-1,3-dimethyl-2-nitro-, Anisole, 3,5-dimethyl-4-nitro-, 3,5-dimethyl-4-nitrophenyl methyl ether
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 61019-03-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)OC |
| InChIKey | IGRJLJWPPSJVTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 5-methoxy-1,3-dimethyl-2-nitro- (CAS 61019-03-2), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 5-methoxy-1,3-dimethyl-2-nitrobenzene.
Chemical Property Profile of Benzene, 5-methoxy-1,3-dimethyl-2-nitro-
Property Insights of Benzene, 5-methoxy-1,3-dimethyl-2-nitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 5-methoxy-1,3-dimethyl-2-nitro-. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 5-methoxy-1,3-dimethyl-2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 5-methoxy-1,3-dimethyl-2-nitro- has 0 hydrogen bond donor(s) and 3 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 Benzene, 5-methoxy-1,3-dimethyl-2-nitro-?
The CAS number of Benzene, 5-methoxy-1,3-dimethyl-2-nitro- is 61019-03-2.
What is the molecular formula of Benzene, 5-methoxy-1,3-dimethyl-2-nitro-?
The molecular formula of Benzene, 5-methoxy-1,3-dimethyl-2-nitro- is C9H11NO3.
What is the molecular weight of Benzene, 5-methoxy-1,3-dimethyl-2-nitro-?
The molecular weight of Benzene, 5-methoxy-1,3-dimethyl-2-nitro- is 181.07 g/mol.
Where can I buy Benzene, 5-methoxy-1,3-dimethyl-2-nitro-?
You can request a quote for Benzene, 5-methoxy-1,3-dimethyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 5-methoxy-1,3-dimethyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 5-methoxy-1,3-dimethyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.