5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate
TL;DR: 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate (CAS 303987-01-1) is a chemical compound with molecular formula C15H15ClO3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5-dimethyl-3-oxocyclohexen-1-yl) 4-chlorobenzoate
Also Known As: 5,5-dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate, (5,5-dimethyl-3-oxocyclohexen-1-yl) 4-chlorobenzoate, 5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-chlorobenzoate, (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 4-chlorobenzoate, Benzoic acid, 4-chloro-, 5,5-dimethyl-3-oxo-1-cyclohexen-1-yl ester
| Molecular Formula | C15H15ClO3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 3.7698 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.07098 |
| Heavy Atoms | 19 |
| Complexity | 541.01404 |
Chemical Identifiers
| CAS Number | 303987-01-1 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)OC(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate (CAS 303987-01-1), with molecular formula C15H15ClO3 and molecular weight 278.07 g/mol. IUPAC: (5,5-dimethyl-3-oxocyclohexen-1-yl) 4-chlorobenzoate.
Chemical Property Profile of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate
Property Insights of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate
The XLogP value of 3.7698 indicates that 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate has 0 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 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate?
The CAS number of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate is 303987-01-1.
What is the molecular formula of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate?
The molecular formula of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate is C15H15ClO3.
What is the molecular weight of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate?
The molecular weight of 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate is 278.07 g/mol.
Where can I buy 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate?
You can request a quote for 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.