2-Bromo-2,2-dinitroethan-1-ol
TL;DR: 2-Bromo-2,2-dinitroethan-1-ol (CAS 918-51-4) is a chemical compound with molecular formula C2H3BrN2O5 and molecular weight 213.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2,2-dinitroethanol
Also Known As: 2-Bromo-2,2-dinitroethanol, 2-Bromo-2,2-dinitroethan-1-ol, Ethanol, 2-bromo-2,2-dinitro-, Mitoxantrone dicarboxylic acid, 4-01-00-01389 (Beilstein Handbook Reference)
| Molecular Formula | C2H3BrN2O5 |
|---|---|
| Molecular Weight | 213.92 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.92253 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 918-51-4 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])Br)O |
| InChIKey | KFEDHKQISIBCJO-UHFFFAOYSA-N |
Product Overview
2-Bromo-2,2-dinitroethan-1-ol (CAS 918-51-4), with molecular formula C2H3BrN2O5 and molecular weight 213.92 g/mol. IUPAC: 2-bromo-2,2-dinitroethanol.
Chemical Property Profile of 2-Bromo-2,2-dinitroethan-1-ol
Property Insights of 2-Bromo-2,2-dinitroethan-1-ol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2,2-dinitroethan-1-ol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-2,2-dinitroethan-1-ol. Following Lipinski's Rule of Five, 2-Bromo-2,2-dinitroethan-1-ol 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-Bromo-2,2-dinitroethan-1-ol?
The CAS number of 2-Bromo-2,2-dinitroethan-1-ol is 918-51-4.
What is the molecular formula of 2-Bromo-2,2-dinitroethan-1-ol?
The molecular formula of 2-Bromo-2,2-dinitroethan-1-ol is C2H3BrN2O5.
What is the molecular weight of 2-Bromo-2,2-dinitroethan-1-ol?
The molecular weight of 2-Bromo-2,2-dinitroethan-1-ol is 213.92 g/mol.
Where can I buy 2-Bromo-2,2-dinitroethan-1-ol?
You can request a quote for 2-Bromo-2,2-dinitroethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2,2-dinitroethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2,2-dinitroethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.