2-Chlorocyclohepta-2,4,6-trien-1-one
TL;DR: 2-Chlorocyclohepta-2,4,6-trien-1-one (CAS 3839-48-3) is a chemical compound with molecular formula C7H5ClO and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorocyclohepta-2,4,6-trien-1-one
Also Known As: 2-Chlorotropone, 2-Chlorocycloheptatrienone, 2-Chlorocyclohepta-2,4,6-trienone, 2-chlorocyclohepta-2,4,6-trien-1-one, 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE
| Molecular Formula | C7H5ClO |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.0029 |
| Heavy Atoms | 9 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 3839-48-3 |
|---|---|
| SMILES | C1=CC=C(C(=O)C=C1)Cl |
| InChIKey | MTHNMAUDCHXFMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorocyclohepta-2,4,6-trien-1-one (CAS 3839-48-3), with molecular formula C7H5ClO and molecular weight 140.00 g/mol. IUPAC: 2-chlorocyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-Chlorocyclohepta-2,4,6-trien-1-one
Property Insights of 2-Chlorocyclohepta-2,4,6-trien-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorocyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chlorocyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorocyclohepta-2,4,6-trien-1-one 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 2-Chlorocyclohepta-2,4,6-trien-1-one?
The CAS number of 2-Chlorocyclohepta-2,4,6-trien-1-one is 3839-48-3.
What is the molecular formula of 2-Chlorocyclohepta-2,4,6-trien-1-one?
The molecular formula of 2-Chlorocyclohepta-2,4,6-trien-1-one is C7H5ClO.
What is the molecular weight of 2-Chlorocyclohepta-2,4,6-trien-1-one?
The molecular weight of 2-Chlorocyclohepta-2,4,6-trien-1-one is 140.00 g/mol.
Where can I buy 2-Chlorocyclohepta-2,4,6-trien-1-one?
You can request a quote for 2-Chlorocyclohepta-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 2-Chlorocyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorocyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.