3-Phenyl-6-bromomethylenetetrahydropyran-2-one
TL;DR: 3-Phenyl-6-bromomethylenetetrahydropyran-2-one (CAS 88071-39-0) is a chemical compound with molecular formula C12H11BrO2 and molecular weight 265.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-(bromomethylidene)-3-phenyloxan-2-one
Also Known As: Pmto-Br, 1-(ethylsulfanylmethoxy)propane, 3-Phenyl-6-bromomethylenetetrahydropyran-2-one, 1-(4-Hydroxybutoxy)propan-2-one, 6-(bromomethylidene)-3-phenyloxan-2-one
| Molecular Formula | C12H11BrO2 |
|---|---|
| Molecular Weight | 265.99 g/mol |
| LogP | 3.3435 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.99423 |
| Heavy Atoms | 15 |
| Complexity | 383.8684 |
Chemical Identifiers
| CAS Number | 88071-39-0 |
|---|---|
| SMILES | C1C/C(=C/Br)/OC(=O)C1C2=CC=CC=C2 |
Product Overview
3-Phenyl-6-bromomethylenetetrahydropyran-2-one (CAS 88071-39-0), with molecular formula C12H11BrO2 and molecular weight 265.99 g/mol. IUPAC: (6Z)-6-(bromomethylidene)-3-phenyloxan-2-one.
Chemical Property Profile of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one
Property Insights of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one
The XLogP value of 3.3435 indicates that 3-Phenyl-6-bromomethylenetetrahydropyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenyl-6-bromomethylenetetrahydropyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-6-bromomethylenetetrahydropyran-2-one has 0 hydrogen bond donor(s) and 2 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-Phenyl-6-bromomethylenetetrahydropyran-2-one?
The CAS number of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one is 88071-39-0.
What is the molecular formula of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one?
The molecular formula of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one is C12H11BrO2.
What is the molecular weight of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one?
The molecular weight of 3-Phenyl-6-bromomethylenetetrahydropyran-2-one is 265.99 g/mol.
Where can I buy 3-Phenyl-6-bromomethylenetetrahydropyran-2-one?
You can request a quote for 3-Phenyl-6-bromomethylenetetrahydropyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-6-bromomethylenetetrahydropyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-6-bromomethylenetetrahydropyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.