4-甲基-3-硝基苄醇
TL;DR: 4-甲基-3-硝基苄醇 (CAS 4342-49-8) 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-硝基苄醇
(4-methyl-3-nitrophenyl)methanol
Also Known As: 4-Methyl-3-nitrobenzyl alcohol, (4-Methyl-3-nitrophenyl)methanol, 4-Methyl-3-nitrobenzenemethanol, Benzenemethanol, 4-methyl-3-nitro-, 3-nitro-4-methylbenzyl alcohol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 4342-49-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CO)[N+](=O)[O-] |
| InChIKey | URCWIFSXDARYLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-3-硝基苄醇 (CAS 4342-49-8), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: (4-methyl-3-nitrophenyl)methanol.
Chemical Property Profile of 4-甲基-3-硝基苄醇
Property Insights of 4-甲基-3-硝基苄醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-3-硝基苄醇. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲基-3-硝基苄醇. Following Lipinski's Rule of Five, 4-甲基-3-硝基苄醇 has 1 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-硝基苄醇?
The CAS number of 4-甲基-3-硝基苄醇 is 4342-49-8.
What is the molecular formula of 4-甲基-3-硝基苄醇?
The molecular formula of 4-甲基-3-硝基苄醇 is C8H9NO3.
What is the molecular weight of 4-甲基-3-硝基苄醇?
The molecular weight of 4-甲基-3-硝基苄醇 is 167.06 g/mol.
Where can I buy 4-甲基-3-硝基苄醇?
You can request a quote for 4-甲基-3-硝基苄醇 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-硝基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-3-硝基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.