1-Octen-3-one, 1,1,2-tribromo-
TL;DR: 1-Octen-3-one, 1,1,2-tribromo- (CAS 64785-96-2) is a chemical compound with molecular formula C8H11Br3O and molecular weight 359.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-tribromooct-1-en-3-one
Also Known As: 1,1,2-tribromooct-1-en-3-one, 1-Octen-3-one, 1,1,2-tribromo-, Pentyl tribromo - vinyl ketone, Pentyl tribromo-vinyl ketone, 1-Octen-3-one,1,1,2-tribromo-
| Molecular Formula | C8H11Br3O |
|---|---|
| Molecular Weight | 359.84 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.836 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 64785-96-2 |
|---|---|
| SMILES | CCCCCC(=O)C(=C(Br)Br)Br |
| InChIKey | CNMOSZIVTRYXIH-UHFFFAOYSA-N |
Product Overview
1-Octen-3-one, 1,1,2-tribromo- (CAS 64785-96-2), with molecular formula C8H11Br3O and molecular weight 359.84 g/mol. IUPAC: 1,1,2-tribromooct-1-en-3-one.
Chemical Property Profile of 1-Octen-3-one, 1,1,2-tribromo-
Property Insights of 1-Octen-3-one, 1,1,2-tribromo-
The XLogP value of 4.6 indicates that 1-Octen-3-one, 1,1,2-tribromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Octen-3-one, 1,1,2-tribromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octen-3-one, 1,1,2-tribromo- 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 1-Octen-3-one, 1,1,2-tribromo-?
The CAS number of 1-Octen-3-one, 1,1,2-tribromo- is 64785-96-2.
What is the molecular formula of 1-Octen-3-one, 1,1,2-tribromo-?
The molecular formula of 1-Octen-3-one, 1,1,2-tribromo- is C8H11Br3O.
What is the molecular weight of 1-Octen-3-one, 1,1,2-tribromo-?
The molecular weight of 1-Octen-3-one, 1,1,2-tribromo- is 359.84 g/mol.
Where can I buy 1-Octen-3-one, 1,1,2-tribromo-?
You can request a quote for 1-Octen-3-one, 1,1,2-tribromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octen-3-one, 1,1,2-tribromo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octen-3-one, 1,1,2-tribromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.