3-(4-Chlorobenzal)phthalide, (Z)-
TL;DR: 3-(4-Chlorobenzal)phthalide, (Z)- (CAS 105279-16-1) is a chemical compound with molecular formula C15H9ClO2 and molecular weight 256.0291 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
Also Known As: 3-(4-Chlorobenzal)phthalide, 3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one, Azelastine Impurity E, Azelastine EP Impurity E, Azelastine Impurity 14
Technical Specifications
| Molecular Formula | C15H9ClO2 |
| Molecular Weight | 256.0291 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0291 Da |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
| SMILES | C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)Cl)/OC2=O |
| InChIKey | OHRFHJYUEWVXBD-ZROIWOOFSA-N |
Chemical Property Profile of 3-(4-Chlorobenzal)phthalide, (Z)-
Property Insights of 3-(4-Chlorobenzal)phthalide, (Z)-
The XLogP value of 4.1 indicates that 3-(4-Chlorobenzal)phthalide, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Chlorobenzal)phthalide, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorobenzal)phthalide, (Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorobenzal)phthalide, (Z)-?
The CAS number of 3-(4-Chlorobenzal)phthalide, (Z)- is 105279-16-1.
What is the molecular formula of 3-(4-Chlorobenzal)phthalide, (Z)-?
The molecular formula of 3-(4-Chlorobenzal)phthalide, (Z)- is C15H9ClO2.
What is the molecular weight of 3-(4-Chlorobenzal)phthalide, (Z)-?
The molecular weight of 3-(4-Chlorobenzal)phthalide, (Z)- is 256.0291 g/mol.
Where can I buy 3-(4-Chlorobenzal)phthalide, (Z)-?
You can request a quote for 3-(4-Chlorobenzal)phthalide, (Z)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorobenzal)phthalide, (Z)-?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorobenzal)phthalide, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.