溴丙酮
TL;DR: 溴丙酮 (CAS 598-31-2) is a chemical compound with molecular formula C3H5BrO and molecular weight 135.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴丙酮
1-bromopropan-2-one
Also Known As: BROMOACETONE, Monobromoacetone, 1-Bromo-2-propanone, 1-bromopropan-2-one, 1-Bromoacetone
| Molecular Formula | C3H5BrO |
|---|---|
| Molecular Weight | 135.95 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.95238 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | -36.5 °C |
| Boiling Point | 136.1 °C at 760 mmHg |
| Density | 1.634 at 23.0 °C |
| Solubility | Soluble in ethanol, ether, and acetone |
| Flash Point | 51.1 °C |
| Vapor Pressure | 90.0 [mmHg] |
| Refractive Index | 1.4697 at 15 °C |
Chemical Identifiers
| CAS Number | 598-31-2 |
|---|---|
| SMILES | CC(=O)CBr |
| InChIKey | VQFAIAKCILWQPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴丙酮 (CAS 598-31-2), with molecular formula C3H5BrO and molecular weight 135.95 g/mol. IUPAC: 1-bromopropan-2-one.
Chemical Property Profile of 溴丙酮
Property Insights of 溴丙酮
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 溴丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴丙酮 has 0 hydrogen bond donor(s) and 1 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 溴丙酮?
The CAS number of 溴丙酮 is 598-31-2.
What is the molecular formula of 溴丙酮?
The molecular formula of 溴丙酮 is C3H5BrO.
What is the molecular weight of 溴丙酮?
The molecular weight of 溴丙酮 is 135.95 g/mol.
Where can I buy 溴丙酮?
You can request a quote for 溴丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴丙酮?
Yes, KEHONG BIO provides custom synthesis services for 溴丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.