![(E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one structure](/static/products/374/374698-68-7.png)
(E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one
TL;DR: (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one (CAS 374698-68-7) is a chemical compound with molecular formula C13H12Cl2O2 and molecular weight 270.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9E)-9-(3,3-dichloroprop-2-enylidene)-5,6,7,8-tetrahydrocyclohepta[b]pyran-2-one
Also Known As: (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one, (9E)-9-(3,3-dichloroprop-2-enylidene)-5,6,7,8-tetrahydrocyclohepta[b]pyran-2-one
| Molecular Formula | C13H12Cl2O2 |
|---|---|
| Molecular Weight | 270.02 g/mol |
| LogP | 4.0686 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.02142 |
| Heavy Atoms | 17 |
| Complexity | 522.4661 |
Chemical Identifiers
| CAS Number | 374698-68-7 |
|---|---|
| SMILES | C1CC/C(=C\C=C(Cl)Cl)/C2=C(C1)C=CC(=O)O2 |
Product Overview
(E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one (CAS 374698-68-7), with molecular formula C13H12Cl2O2 and molecular weight 270.02 g/mol. IUPAC: (9E)-9-(3,3-dichloroprop-2-enylidene)-5,6,7,8-tetrahydrocyclohepta[b]pyran-2-one.
Chemical Property Profile of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one
Property Insights of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one
The XLogP value of 4.0686 indicates that (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-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 (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one?
The CAS number of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one is 374698-68-7.
What is the molecular formula of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one?
The molecular formula of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one is C13H12Cl2O2.
What is the molecular weight of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one?
The molecular weight of (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one is 270.02 g/mol.
Where can I buy (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one?
You can request a quote for (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-9-(3,3-dichloroallylidene)-6,7,8,9-tetrahydrocyclohepta[b]pyran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.