(3,5-Dinitrophenyl)methanediol
TL;DR: (3,5-Dinitrophenyl)methanediol (CAS 85152-61-0) is a chemical compound with molecular formula C7H6N2O6 and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitrophenyl)methanediol
Also Known As: (3,5-dinitrophenyl)methanediol, 3,5-dinitrobenzaldehyde hydrate
| Molecular Formula | C7H6N2O6 |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 0.4862 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.02258 |
| Heavy Atoms | 15 |
| Complexity | 383.69147 |
Chemical Identifiers
| CAS Number | 85152-61-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(O)O |
Product Overview
(3,5-Dinitrophenyl)methanediol (CAS 85152-61-0), with molecular formula C7H6N2O6 and molecular weight 214.02 g/mol. IUPAC: (3,5-dinitrophenyl)methanediol.
Chemical Property Profile of (3,5-Dinitrophenyl)methanediol
Property Insights of (3,5-Dinitrophenyl)methanediol
The XLogP value of 0.4862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dinitrophenyl)methanediol. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dinitrophenyl)methanediol. Following Lipinski's Rule of Five, (3,5-Dinitrophenyl)methanediol has 2 hydrogen bond donor(s) and 6 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-Dinitrophenyl)methanediol?
The CAS number of (3,5-Dinitrophenyl)methanediol is 85152-61-0.
What is the molecular formula of (3,5-Dinitrophenyl)methanediol?
The molecular formula of (3,5-Dinitrophenyl)methanediol is C7H6N2O6.
What is the molecular weight of (3,5-Dinitrophenyl)methanediol?
The molecular weight of (3,5-Dinitrophenyl)methanediol is 214.02 g/mol.
Where can I buy (3,5-Dinitrophenyl)methanediol?
You can request a quote for (3,5-Dinitrophenyl)methanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dinitrophenyl)methanediol?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dinitrophenyl)methanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.