2-Bromo-2-nitropropanol
TL;DR: 2-Bromo-2-nitropropanol (CAS 24403-04-1) is a chemical compound with molecular formula C3H6BrNO3 and molecular weight 182.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-nitropropan-1-ol
Also Known As: Debropol, 2-bromo-2-nitropropan-1-ol, 2-Bromo-2-nitropropanol, Debropol [INN:BAN], DEBROPOL [INN]
| Molecular Formula | C3H6BrNO3 |
|---|---|
| Molecular Weight | 182.95 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.95311 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 24403-04-1 |
|---|---|
| SMILES | CC(CO)([N+](=O)[O-])Br |
| InChIKey | NYWJACXVDUOPFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2-nitropropanol (CAS 24403-04-1), with molecular formula C3H6BrNO3 and molecular weight 182.95 g/mol. IUPAC: 2-bromo-2-nitropropan-1-ol.
Chemical Property Profile of 2-Bromo-2-nitropropanol
Property Insights of 2-Bromo-2-nitropropanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-nitropropanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-2-nitropropanol. Following Lipinski's Rule of Five, 2-Bromo-2-nitropropanol 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-nitropropanol?
The CAS number of 2-Bromo-2-nitropropanol is 24403-04-1.
What is the molecular formula of 2-Bromo-2-nitropropanol?
The molecular formula of 2-Bromo-2-nitropropanol is C3H6BrNO3.
What is the molecular weight of 2-Bromo-2-nitropropanol?
The molecular weight of 2-Bromo-2-nitropropanol is 182.95 g/mol.
Where can I buy 2-Bromo-2-nitropropanol?
You can request a quote for 2-Bromo-2-nitropropanol 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-nitropropanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-nitropropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.