1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
TL;DR: 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 4759-55-1) is a chemical compound with molecular formula C19H23ClO6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, BAS 00619641, BIM-0048382.P001, diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-diethyl2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C19H23ClO6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.506 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11832 |
| Heavy Atoms | 26 |
| Complexity | 699.0247 |
Chemical Identifiers
| CAS Number | 4759-55-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)Cl |
Product Overview
1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 4759-55-1), with molecular formula C19H23ClO6 and molecular weight 382.12 g/mol. IUPAC: diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Property Insights of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
The XLogP value of 2.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The CAS number of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 4759-55-1.
What is the molecular formula of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular formula of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is C19H23ClO6.
What is the molecular weight of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular weight of 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 382.12 g/mol.
Where can I buy 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
You can request a quote for 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diethyl 2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.