2-Bromo-2-nitroethanol
TL;DR: 2-Bromo-2-nitroethanol (CAS 5437-60-5) is a chemical compound with molecular formula C2H4BrNO3 and molecular weight 168.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-nitroethanol
Also Known As: 2-Bromo-2-nitroethanol, 2-bromo-2-nitroethan-1-ol, bromonitroethanol, Ethanol, 2-bromo-2-nitro-, 2-Brom-2-nitroethanol
| Molecular Formula | C2H4BrNO3 |
|---|---|
| Molecular Weight | 168.94 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.93745 |
| Heavy Atoms | 7 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 5437-60-5 |
|---|---|
| SMILES | C(C([N+](=O)[O-])Br)O |
| InChIKey | OGGHUMVMTWCANK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2-nitroethanol (CAS 5437-60-5), with molecular formula C2H4BrNO3 and molecular weight 168.94 g/mol. IUPAC: 2-bromo-2-nitroethanol.
Chemical Property Profile of 2-Bromo-2-nitroethanol
Property Insights of 2-Bromo-2-nitroethanol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-nitroethanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-2-nitroethanol. Following Lipinski's Rule of Five, 2-Bromo-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-Bromo-2-nitroethanol?
The CAS number of 2-Bromo-2-nitroethanol is 5437-60-5.
What is the molecular formula of 2-Bromo-2-nitroethanol?
The molecular formula of 2-Bromo-2-nitroethanol is C2H4BrNO3.
What is the molecular weight of 2-Bromo-2-nitroethanol?
The molecular weight of 2-Bromo-2-nitroethanol is 168.94 g/mol.
Where can I buy 2-Bromo-2-nitroethanol?
You can request a quote for 2-Bromo-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-Bromo-2-nitroethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-nitroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.