Itraconazole Impurity 7
TL;DR: Itraconazole Impurity 7 (CAS 67914-86-7) is a chemical compound with molecular formula C14H15Cl2N3O5S and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Also Known As: Itraconazole Impurity 7, Itraconazole Impurity 38, Itraconazole Impurity 39, Triazole-based ligand, 18, EINECS 267-749-5
| Molecular Formula | C14H15Cl2N3O5S |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 1.8295 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.01096 |
| Heavy Atoms | 25 |
| Complexity | 846.15704 |
Chemical Identifiers
| CAS Number | 67914-86-7 |
|---|---|
| SMILES | CS(=O)(=O)OCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
Itraconazole Impurity 7 (CAS 67914-86-7), with molecular formula C14H15Cl2N3O5S and molecular weight 407.01 g/mol. IUPAC: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate.
Chemical Property Profile of Itraconazole Impurity 7
Property Insights of Itraconazole Impurity 7
The XLogP value of 1.8295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Itraconazole Impurity 7. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Itraconazole Impurity 7. Following Lipinski's Rule of Five, Itraconazole Impurity 7 has 0 hydrogen bond donor(s) and 7 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 Itraconazole Impurity 7?
The CAS number of Itraconazole Impurity 7 is 67914-86-7.
What is the molecular formula of Itraconazole Impurity 7?
The molecular formula of Itraconazole Impurity 7 is C14H15Cl2N3O5S.
What is the molecular weight of Itraconazole Impurity 7?
The molecular weight of Itraconazole Impurity 7 is 407.01 g/mol.
Where can I buy Itraconazole Impurity 7?
You can request a quote for Itraconazole Impurity 7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itraconazole Impurity 7?
Yes, KEHONG BIO provides custom synthesis services for Itraconazole Impurity 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.