3-Penten-2-one, 4-bromo-
TL;DR: 3-Penten-2-one, 4-bromo- (CAS 80356-20-3) is a chemical compound with molecular formula C5H7BrO and molecular weight 161.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromopent-3-en-2-one
Also Known As: 4-bromopent-3-en-2-one, 3-Penten-2-one, 4-bromo-, 3-Penten-2-one, 4-bromo-, (3E)-, RefChem:281590
| Molecular Formula | C5H7BrO |
|---|---|
| Molecular Weight | 161.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.96803 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 80356-20-3 |
|---|---|
| SMILES | CC(=CC(=O)C)Br |
| InChIKey | SFEGAWKULWWXCA-UHFFFAOYSA-N |
Product Overview
3-Penten-2-one, 4-bromo- (CAS 80356-20-3), with molecular formula C5H7BrO and molecular weight 161.97 g/mol. IUPAC: 4-bromopent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 4-bromo-
Property Insights of 3-Penten-2-one, 4-bromo-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Penten-2-one, 4-bromo-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Penten-2-one, 4-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 4-bromo- 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 3-Penten-2-one, 4-bromo-?
The CAS number of 3-Penten-2-one, 4-bromo- is 80356-20-3.
What is the molecular formula of 3-Penten-2-one, 4-bromo-?
The molecular formula of 3-Penten-2-one, 4-bromo- is C5H7BrO.
What is the molecular weight of 3-Penten-2-one, 4-bromo-?
The molecular weight of 3-Penten-2-one, 4-bromo- is 161.97 g/mol.
Where can I buy 3-Penten-2-one, 4-bromo-?
You can request a quote for 3-Penten-2-one, 4-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 4-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 4-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.