4-甲基-3-硝基苯甲醚
TL;DR: 4-甲基-3-硝基苯甲醚 (CAS 17484-36-5) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-3-硝基苯甲醚
4-methoxy-1-methyl-2-nitrobenzene
Also Known As: 4-Methyl-3-nitroanisole, 4-Methoxy-2-nitrotoluene, 4-Methoxy-1-methyl-2-nitrobenzene, 2-Nitro-4-methoxytoluene, Benzene, 4-methoxy-1-methyl-2-nitro-
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 17484-36-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC)[N+](=O)[O-] |
| InChIKey | JBORNNNGTJSTLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-3-硝基苯甲醚 (CAS 17484-36-5), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 4-methoxy-1-methyl-2-nitrobenzene.
Chemical Property Profile of 4-甲基-3-硝基苯甲醚
Property Insights of 4-甲基-3-硝基苯甲醚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-3-硝基苯甲醚. With a topological polar surface area (TPSA) of 55.1 Ų, 4-甲基-3-硝基苯甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-3-硝基苯甲醚 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 4-甲基-3-硝基苯甲醚?
The CAS number of 4-甲基-3-硝基苯甲醚 is 17484-36-5.
What is the molecular formula of 4-甲基-3-硝基苯甲醚?
The molecular formula of 4-甲基-3-硝基苯甲醚 is C8H9NO3.
What is the molecular weight of 4-甲基-3-硝基苯甲醚?
The molecular weight of 4-甲基-3-硝基苯甲醚 is 167.06 g/mol.
Where can I buy 4-甲基-3-硝基苯甲醚?
You can request a quote for 4-甲基-3-硝基苯甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-3-硝基苯甲醚?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-3-硝基苯甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.