(3Z)-4-Bromo-3-penten-2-one
TL;DR: (3Z)-4-Bromo-3-penten-2-one (CAS 80356-21-4) 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.
(Z)-4-bromopent-3-en-2-one
Also Known As: 4-bromopent-3-en-2-one, 3-Penten-2-one, 4-bromo-, (Z)-4-bromopent-3-en-2-one, (Z)-4-Bromo-3-penten-2-one, (3Z)-4-bromopent-3-en-2-one
| Molecular Formula | C5H7BrO |
|---|---|
| Molecular Weight | 161.97 g/mol |
| LogP | 1.8741 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.96803 |
| Heavy Atoms | 7 |
| Complexity | 100.64778 |
Chemical Identifiers
| CAS Number | 80356-21-4 |
|---|---|
| SMILES | C/C(=C/C(=O)C)/Br |
Product Overview
(3Z)-4-Bromo-3-penten-2-one (CAS 80356-21-4), with molecular formula C5H7BrO and molecular weight 161.97 g/mol. IUPAC: (Z)-4-bromopent-3-en-2-one.
Chemical Property Profile of (3Z)-4-Bromo-3-penten-2-one
Property Insights of (3Z)-4-Bromo-3-penten-2-one
The XLogP value of 1.8741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-4-Bromo-3-penten-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, (3Z)-4-Bromo-3-penten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-4-Bromo-3-penten-2-one 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 (3Z)-4-Bromo-3-penten-2-one?
The CAS number of (3Z)-4-Bromo-3-penten-2-one is 80356-21-4.
What is the molecular formula of (3Z)-4-Bromo-3-penten-2-one?
The molecular formula of (3Z)-4-Bromo-3-penten-2-one is C5H7BrO.
What is the molecular weight of (3Z)-4-Bromo-3-penten-2-one?
The molecular weight of (3Z)-4-Bromo-3-penten-2-one is 161.97 g/mol.
Where can I buy (3Z)-4-Bromo-3-penten-2-one?
You can request a quote for (3Z)-4-Bromo-3-penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-4-Bromo-3-penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-4-Bromo-3-penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.