Ketoconazole Impurity 41; Itraconazole Impurity 4
TL;DR: Ketoconazole Impurity 41; Itraconazole Impurity 4 (CAS 769121-73-5) is a chemical compound with molecular formula C18H15BrCl2O4 and molecular weight 443.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
Also Known As: Ketoconazole Impurity 41; Itraconazole Impurity 4, ((2S,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate, [(2S,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate
| Molecular Formula | C18H15BrCl2O4 |
|---|---|
| Molecular Weight | 443.95 g/mol |
| LogP | 4.8135 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.9531 |
| Heavy Atoms | 25 |
| Complexity | 755.9962 |
Chemical Identifiers
| CAS Number | 769121-73-5 |
|---|---|
| SMILES | C1[C@@H](O[C@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3 |
Product Overview
Ketoconazole Impurity 41; Itraconazole Impurity 4 (CAS 769121-73-5), with molecular formula C18H15BrCl2O4 and molecular weight 443.95 g/mol. IUPAC: [(2S,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate.
Chemical Property Profile of Ketoconazole Impurity 41; Itraconazole Impurity 4
Property Insights of Ketoconazole Impurity 41; Itraconazole Impurity 4
The XLogP value of 4.8135 indicates that Ketoconazole Impurity 41; Itraconazole Impurity 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Ketoconazole Impurity 41; Itraconazole Impurity 4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketoconazole Impurity 41; Itraconazole Impurity 4 has 0 hydrogen bond donor(s) and 4 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 Ketoconazole Impurity 41; Itraconazole Impurity 4?
The CAS number of Ketoconazole Impurity 41; Itraconazole Impurity 4 is 769121-73-5.
What is the molecular formula of Ketoconazole Impurity 41; Itraconazole Impurity 4?
The molecular formula of Ketoconazole Impurity 41; Itraconazole Impurity 4 is C18H15BrCl2O4.
What is the molecular weight of Ketoconazole Impurity 41; Itraconazole Impurity 4?
The molecular weight of Ketoconazole Impurity 41; Itraconazole Impurity 4 is 443.95 g/mol.
Where can I buy Ketoconazole Impurity 41; Itraconazole Impurity 4?
You can request a quote for Ketoconazole Impurity 41; Itraconazole Impurity 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketoconazole Impurity 41; Itraconazole Impurity 4?
Yes, KEHONG BIO provides custom synthesis services for Ketoconazole Impurity 41; Itraconazole Impurity 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.