2-Bromo-3-pentanone
TL;DR: 2-Bromo-3-pentanone (CAS 815-52-1) is a chemical compound with molecular formula C5H9BrO and molecular weight 163.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromopentan-3-one
Also Known As: 2-bromopentan-3-one, 2-Bromo-3-pentanone, 3-Pentanone, 2-bromo-, 2-Bromo-pentan-3-one, .alpha.-Bromodiethyl ketone
| Molecular Formula | C5H9BrO |
|---|---|
| Molecular Weight | 163.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.98367 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 815-52-1 |
|---|---|
| SMILES | CCC(=O)C(C)Br |
| InChIKey | VUDTYIUNUSPULX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3-pentanone (CAS 815-52-1), with molecular formula C5H9BrO and molecular weight 163.98 g/mol. IUPAC: 2-bromopentan-3-one.
Chemical Property Profile of 2-Bromo-3-pentanone
Property Insights of 2-Bromo-3-pentanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-pentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromo-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-pentanone 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 2-Bromo-3-pentanone?
The CAS number of 2-Bromo-3-pentanone is 815-52-1.
What is the molecular formula of 2-Bromo-3-pentanone?
The molecular formula of 2-Bromo-3-pentanone is C5H9BrO.
What is the molecular weight of 2-Bromo-3-pentanone?
The molecular weight of 2-Bromo-3-pentanone is 163.98 g/mol.
Where can I buy 2-Bromo-3-pentanone?
You can request a quote for 2-Bromo-3-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.