2,2-Dibromo-2-nitroethanol
TL;DR: 2,2-Dibromo-2-nitroethanol (CAS 69094-18-4) is a chemical compound with molecular formula C2H3Br2NO3 and molecular weight 246.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-2-nitroethanol
Also Known As: 2,2-Dibromo-2-nitroethanol, DBNE, DIBNIROL, Ethanol, 2,2-dibromo-2-nitro-, 2,2-dibromo-2-nitroethan-1-ol
| Molecular Formula | C2H3Br2NO3 |
|---|---|
| Molecular Weight | 246.85 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.84592 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 69094-18-4 |
|---|---|
| SMILES | C(C([N+](=O)[O-])(Br)Br)O |
| InChIKey | FMNZAHDAULEOSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dibromo-2-nitroethanol (CAS 69094-18-4), with molecular formula C2H3Br2NO3 and molecular weight 246.85 g/mol. IUPAC: 2,2-dibromo-2-nitroethanol.
Chemical Property Profile of 2,2-Dibromo-2-nitroethanol
Property Insights of 2,2-Dibromo-2-nitroethanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dibromo-2-nitroethanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dibromo-2-nitroethanol. Following Lipinski's Rule of Five, 2,2-Dibromo-2-nitroethanol has 1 hydrogen bond donor(s) and 3 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-Dibromo-2-nitroethanol?
The CAS number of 2,2-Dibromo-2-nitroethanol is 69094-18-4.
What is the molecular formula of 2,2-Dibromo-2-nitroethanol?
The molecular formula of 2,2-Dibromo-2-nitroethanol is C2H3Br2NO3.
What is the molecular weight of 2,2-Dibromo-2-nitroethanol?
The molecular weight of 2,2-Dibromo-2-nitroethanol is 246.85 g/mol.
Where can I buy 2,2-Dibromo-2-nitroethanol?
You can request a quote for 2,2-Dibromo-2-nitroethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibromo-2-nitroethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-2-nitroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.