4-Methyl-3,5-dinitrobenzyl alcohol
TL;DR: 4-Methyl-3,5-dinitrobenzyl alcohol (CAS 171809-20-4) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3,5-dinitrophenyl)methanol
Also Known As: 4-Methyl-3,5-dinitrobenzyl alcohol, (4-methyl-3,5-dinitrophenyl)methanol, Benzenemethanol,4-methyl-3,5-dinitro-, (4-methyl-3,5-dinitro-phenyl)methanol, (4-methyl-3,5-dinitrophenyl)methan-1-ol
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.30372 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 394.03537 |
Chemical Identifiers
| CAS Number | 171809-20-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])CO)[N+](=O)[O-] |
Product Overview
4-Methyl-3,5-dinitrobenzyl alcohol (CAS 171809-20-4), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: (4-methyl-3,5-dinitrophenyl)methanol.
Chemical Property Profile of 4-Methyl-3,5-dinitrobenzyl alcohol
Property Insights of 4-Methyl-3,5-dinitrobenzyl alcohol
The XLogP value of 1.30372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3,5-dinitrobenzyl alcohol. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3,5-dinitrobenzyl alcohol. Following Lipinski's Rule of Five, 4-Methyl-3,5-dinitrobenzyl alcohol has 1 hydrogen bond donor(s) and 5 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-Methyl-3,5-dinitrobenzyl alcohol?
The CAS number of 4-Methyl-3,5-dinitrobenzyl alcohol is 171809-20-4.
What is the molecular formula of 4-Methyl-3,5-dinitrobenzyl alcohol?
The molecular formula of 4-Methyl-3,5-dinitrobenzyl alcohol is C8H8N2O5.
What is the molecular weight of 4-Methyl-3,5-dinitrobenzyl alcohol?
The molecular weight of 4-Methyl-3,5-dinitrobenzyl alcohol is 212.04 g/mol.
Where can I buy 4-Methyl-3,5-dinitrobenzyl alcohol?
You can request a quote for 4-Methyl-3,5-dinitrobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3,5-dinitrobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3,5-dinitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.