Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-
TL;DR: Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- (CAS 34874-87-8) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-1,3,5-trimethyl-4-nitrobenzene
Also Known As: Methoxynitromesitylene, 2-Methoxy-1,3,5-trimethyl-4-nitrobenzene, Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-, 2-Methoxy-4-nitro-1,3,5-trimethylbenzene, 3-nitro-2,4,6-trimethyl-1-methoxybenzene
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 34874-87-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1[N+](=O)[O-])C)OC)C |
| InChIKey | LDBLBZILEXGERJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- (CAS 34874-87-8), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 2-methoxy-1,3,5-trimethyl-4-nitrobenzene.
Chemical Property Profile of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-
Property Insights of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-methoxy-1,3,5-trimethyl-4-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, 2-methoxy-1,3,5-trimethyl-4-nitro-?
The CAS number of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- is 34874-87-8.
What is the molecular formula of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-?
The molecular formula of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- is C10H13NO3.
What is the molecular weight of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-?
The molecular weight of Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- is 195.09 g/mol.
Where can I buy Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-?
You can request a quote for Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-methoxy-1,3,5-trimethyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.