(E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one
TL;DR: (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one (CAS 1164464-90-7) is a chemical compound with molecular formula C12H10Cl2O2 and molecular weight 256.0058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8E)-8-(3,3-dichloroprop-2-enylidene)-6,7-dihydro-5H-chromen-2-one
Also Known As: (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one, (8E)-8-(3,3-dichloroprop-2-enylidene)-6,7-dihydro-5H-chromen-2-one, 8-(3,3-dichloro-2-propen-1-ylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one, Opera_ID_1010
Technical Specifications
| Molecular Formula | C12H10Cl2O2 |
| Molecular Weight | 256.0058 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0058 Da |
| Heavy Atoms | 16 |
| Complexity | 438.0 |
| SMILES | C1CC2=C(/C(=C/C=C(Cl)Cl)/C1)OC(=O)C=C2 |
| InChIKey | TXIZUPRKXYUHNR-XBXARRHUSA-N |
Chemical Property Profile of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one
Property Insights of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one
The XLogP value of 3.3 indicates that (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-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, (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-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
What is the CAS number of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one?
The CAS number of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one is 1164464-90-7.
What is the molecular formula of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one?
The molecular formula of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one is C12H10Cl2O2.
What is the molecular weight of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one?
The molecular weight of (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one is 256.0058 g/mol.
Where can I buy (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one?
You can request a quote for (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-8-(3,3-dichloroallylidene)-5,6,7,8-tetrahydro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.