(E)-Olopatadine
TL;DR: (E)-Olopatadine (CAS 113806-05-6) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Also Known As: Olopatadine, (E)-Olopatadine, Olopatadine, (E)-, OLOPATADINE HYDROCHLORIDE, 2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H23NO3 |
| Molecular Weight | 337.1678 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1678 Da |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
| SMILES | CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O |
| InChIKey | JBIMVDZLSHOPLA-UHFFFAOYSA-N |
Chemical Property Profile of (E)-Olopatadine
Property Insights of (E)-Olopatadine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-Olopatadine. With a topological polar surface area (TPSA) of 49.8 Ų, (E)-Olopatadine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-Olopatadine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-Olopatadine?
The CAS number of (E)-Olopatadine is 113806-05-6.
What is the molecular formula of (E)-Olopatadine?
The molecular formula of (E)-Olopatadine is C21H23NO3.
What is the molecular weight of (E)-Olopatadine?
The molecular weight of (E)-Olopatadine is 337.1678 g/mol.
Where can I buy (E)-Olopatadine?
You can request a quote for (E)-Olopatadine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-Olopatadine?
Yes, CoreyChem provides custom synthesis services for (E)-Olopatadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.