2-Nitro-p-xylene-alpha,alpha'-diol
TL;DR: 2-Nitro-p-xylene-alpha,alpha'-diol (CAS 23222-97-1) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-3-nitrophenyl]methanol
Also Known As: 2-Nitro-p-xylylene Glycol, (2-Nitro-1,4-phenylene)dimethanol, 1,4-benzenedimethanol, 2-nitro-, 2-Nitro-p-xylene-alpha,alpha'-diol, 2-Nitro-1,4-benzenedimethanol
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 23222-97-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CO)[N+](=O)[O-])CO |
| InChIKey | KWVHOBYJXDKIPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-p-xylene-alpha,alpha'-diol (CAS 23222-97-1), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: [4-(hydroxymethyl)-3-nitrophenyl]methanol.
Chemical Property Profile of 2-Nitro-p-xylene-alpha,alpha'-diol
Property Insights of 2-Nitro-p-xylene-alpha,alpha'-diol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-p-xylene-alpha,alpha'-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-p-xylene-alpha,alpha'-diol. Following Lipinski's Rule of Five, 2-Nitro-p-xylene-alpha,alpha'-diol has 2 hydrogen bond donor(s) and 4 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-Nitro-p-xylene-alpha,alpha'-diol?
The CAS number of 2-Nitro-p-xylene-alpha,alpha'-diol is 23222-97-1.
What is the molecular formula of 2-Nitro-p-xylene-alpha,alpha'-diol?
The molecular formula of 2-Nitro-p-xylene-alpha,alpha'-diol is C8H9NO4.
What is the molecular weight of 2-Nitro-p-xylene-alpha,alpha'-diol?
The molecular weight of 2-Nitro-p-xylene-alpha,alpha'-diol is 183.05 g/mol.
Where can I buy 2-Nitro-p-xylene-alpha,alpha'-diol?
You can request a quote for 2-Nitro-p-xylene-alpha,alpha'-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-p-xylene-alpha,alpha'-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-p-xylene-alpha,alpha'-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.