2,2-Dinitropropanol
TL;DR: 2,2-Dinitropropanol (CAS 918-52-5) is a chemical compound with molecular formula C3H6N2O5 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitropropan-1-ol
Also Known As: 2,2-Dinitropropanol, NPOH, 2,2-Dinitro-1-propanol, 2,2-dinitropropan-1-ol, 1-Propanol, 2,2-dinitro-
| Molecular Formula | C3H6N2O5 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.02766 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 918-52-5 |
|---|---|
| SMILES | CC(CO)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IPLRZPREFHIGIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dinitropropanol (CAS 918-52-5), with molecular formula C3H6N2O5 and molecular weight 150.03 g/mol. IUPAC: 2,2-dinitropropan-1-ol.
Chemical Property Profile of 2,2-Dinitropropanol
Property Insights of 2,2-Dinitropropanol
The XLogP value of -0.4 indicates that 2,2-Dinitropropanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitropropanol. Following Lipinski's Rule of Five, 2,2-Dinitropropanol 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 2,2-Dinitropropanol?
The CAS number of 2,2-Dinitropropanol is 918-52-5.
What is the molecular formula of 2,2-Dinitropropanol?
The molecular formula of 2,2-Dinitropropanol is C3H6N2O5.
What is the molecular weight of 2,2-Dinitropropanol?
The molecular weight of 2,2-Dinitropropanol is 150.03 g/mol.
Where can I buy 2,2-Dinitropropanol?
You can request a quote for 2,2-Dinitropropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dinitropropanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitropropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.