3,5-二硝基苄醇
TL;DR: 3,5-二硝基苄醇 (CAS 71022-43-0) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二硝基苄醇
(3,5-dinitrophenyl)methanol
Also Known As: 3,5-Dinitrobenzyl alcohol, (3,5-Dinitrophenyl)methanol, 3,5-DinitrobenzeneMethanol, Benzenemethanol, 3,5-dinitro-, 3,5-dinitrobenzylalcohol
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 71022-43-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CO |
| InChIKey | GPHYIQCSMDYRGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二硝基苄醇 (CAS 71022-43-0), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: (3,5-dinitrophenyl)methanol.
Chemical Property Profile of 3,5-二硝基苄醇
Property Insights of 3,5-二硝基苄醇
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二硝基苄醇. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二硝基苄醇. Following Lipinski's Rule of Five, 3,5-二硝基苄醇 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 3,5-二硝基苄醇?
The CAS number of 3,5-二硝基苄醇 is 71022-43-0.
What is the molecular formula of 3,5-二硝基苄醇?
The molecular formula of 3,5-二硝基苄醇 is C7H6N2O5.
What is the molecular weight of 3,5-二硝基苄醇?
The molecular weight of 3,5-二硝基苄醇 is 198.03 g/mol.
Where can I buy 3,5-二硝基苄醇?
You can request a quote for 3,5-二硝基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二硝基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二硝基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.