2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- (CAS 7157-27-9) is a chemical compound with molecular formula C7H4Cl2O and molecular weight 173.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichlorocyclohepta-2,4,6-trien-1-one
Also Known As: 2,5-Dichlorotropone, 2,5-dichlorocyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-, 2,5-Dichloro-2,4,6-cycloheptatrien-1-one, 2,5-Dichloro-2,4,6-cycloheptatriene-1-one
| Molecular Formula | C7H4Cl2O |
|---|---|
| Molecular Weight | 173.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.96391 |
| Heavy Atoms | 10 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 7157-27-9 |
|---|---|
| SMILES | C1=CC(=O)C(=CC=C1Cl)Cl |
| InChIKey | MPKYYRIGUWMAMA-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- (CAS 7157-27-9), with molecular formula C7H4Cl2O and molecular weight 173.96 g/mol. IUPAC: 2,5-dichlorocyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- 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 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- is 7157-27-9.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- is C7H4Cl2O.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- is 173.96 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2,5-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.