2-甲基-3-硝基苄醇
TL;DR: 2-甲基-3-硝基苄醇 (CAS 23876-13-3) 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.
2-甲基-3-硝基苄醇
(2-methyl-3-nitrophenyl)methanol
Also Known As: 2-Methyl-3-nitrobenzyl alcohol, (2-Methyl-3-nitrophenyl)methanol, 2-Methyl-3-nitrobenzylalcohol, Benzenemethanol, 2-methyl-3-nitro-, 2-methyl-3-nitroBenzenemethanol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.6 |
| 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 | 23876-13-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])CO |
| InChIKey | QJANIQCEDPJNLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-硝基苄醇 (CAS 23876-13-3), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: (2-methyl-3-nitrophenyl)methanol.
Chemical Property Profile of 2-甲基-3-硝基苄醇
Property Insights of 2-甲基-3-硝基苄醇
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-硝基苄醇. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-3-硝基苄醇. Following Lipinski's Rule of Five, 2-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 2-甲基-3-硝基苄醇?
The CAS number of 2-甲基-3-硝基苄醇 is 23876-13-3.
What is the molecular formula of 2-甲基-3-硝基苄醇?
The molecular formula of 2-甲基-3-硝基苄醇 is C8H9NO3.
What is the molecular weight of 2-甲基-3-硝基苄醇?
The molecular weight of 2-甲基-3-硝基苄醇 is 167.06 g/mol.
Where can I buy 2-甲基-3-硝基苄醇?
You can request a quote for 2-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 2-甲基-3-硝基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-硝基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.