Baclofen Impurity 33
TL;DR: Baclofen Impurity 33 (CAS 294194-13-1) 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-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: Baclofen Impurity 33, Baclofen Impurity 41, BAS 00416396, diethyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, J2.700.781C
| 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 | 681.7747 |
Chemical Identifiers
| CAS Number | 294194-13-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)Cl |
Product Overview
Baclofen Impurity 33 (CAS 294194-13-1), with molecular formula C19H23ClO6 and molecular weight 382.12 g/mol. IUPAC: diethyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of Baclofen Impurity 33
Property Insights of Baclofen Impurity 33
The XLogP value of 2.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Baclofen Impurity 33. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Baclofen Impurity 33. Following Lipinski's Rule of Five, Baclofen Impurity 33 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 Baclofen Impurity 33?
The CAS number of Baclofen Impurity 33 is 294194-13-1.
What is the molecular formula of Baclofen Impurity 33?
The molecular formula of Baclofen Impurity 33 is C19H23ClO6.
What is the molecular weight of Baclofen Impurity 33?
The molecular weight of Baclofen Impurity 33 is 382.12 g/mol.
Where can I buy Baclofen Impurity 33?
You can request a quote for Baclofen Impurity 33 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baclofen Impurity 33?
Yes, KEHONG BIO provides custom synthesis services for Baclofen Impurity 33 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.