布罗波醇
TL;DR: 布罗波醇 (CAS 52-51-7) is a chemical compound with molecular formula C3H6BrNO4 and molecular weight 198.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布罗波醇
2-bromo-2-nitropropane-1,3-diol
Also Known As: bronopol, 2-Bromo-2-nitro-1,3-propanediol, Bronosol, Bronocot, 2-Bromo-2-nitropropane-1,3-diol
| Molecular Formula | C3H6BrNO4 |
|---|---|
| Molecular Weight | 198.95 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.94801 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
| Melting Point | 266 to 132.8 °C |
| Boiling Point | 151.7 °C at 760 mmHg |
| Density | Relative density (water = 1): 1.9 |
| Solubility | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992) |
| Flash Point | 167 °C |
| Vapor Pressure | 1.2601e-05 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 52-51-7 |
|---|---|
| SMILES | C(C(CO)([N+](=O)[O-])Br)O |
| InChIKey | LVDKZNITIUWNER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布罗波醇 (CAS 52-51-7), with molecular formula C3H6BrNO4 and molecular weight 198.95 g/mol. IUPAC: 2-bromo-2-nitropropane-1,3-diol.
Chemical Property Profile of 布罗波醇
Property Insights of 布罗波醇
The XLogP value of -0.6 indicates that 布罗波醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 布罗波醇. Following Lipinski's Rule of Five, 布罗波醇 has 2 hydrogen bond donor(s) and 4 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 布罗波醇?
The CAS number of 布罗波醇 is 52-51-7.
What is the molecular formula of 布罗波醇?
The molecular formula of 布罗波醇 is C3H6BrNO4.
What is the molecular weight of 布罗波醇?
The molecular weight of 布罗波醇 is 198.95 g/mol.
Where can I buy 布罗波醇?
You can request a quote for 布罗波醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布罗波醇?
Yes, KEHONG BIO provides custom synthesis services for 布罗波醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.