![6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one structure](/static/products/7185/71856-89-8.webp)
6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
TL;DR: 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 71856-89-8) is a chemical compound with molecular formula C16H10Cl2O3 and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 6-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohep, 6-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
| Molecular Formula | C16H10Cl2O3 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0007 |
| Heavy Atoms | 21 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 71856-89-8 |
|---|---|
| SMILES | C1=CC(=CC(=O)C(=C1)O)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | ISMBTBLMYWOGOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 71856-89-8), with molecular formula C16H10Cl2O3 and molecular weight 320.00 g/mol. IUPAC: 6-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
Property Insights of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
The XLogP value of 4.2 indicates that 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one has 1 hydrogen bond donor(s) and 3 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 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one?
The CAS number of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one is 71856-89-8.
What is the molecular formula of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one is C16H10Cl2O3.
What is the molecular weight of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one is 320.00 g/mol.
Where can I buy 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.