奥洛他定
TL;DR: 奥洛他定 (CAS 113805-63-3) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥洛他定
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Also Known As: Olopatadine, Patanol, Opatanol, Pataday, Olopatadina
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 3.5895 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 808.5385 |
Chemical Identifiers
| CAS Number | 113805-63-3 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O |
Product Overview
奥洛他定 (CAS 113805-63-3), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid.
Chemical Property Profile of 奥洛他定
Property Insights of 奥洛他定
The XLogP value of 3.5895 indicates that 奥洛他定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 奥洛他定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥洛他定 has 1 hydrogen bond donor(s) and 3 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 奥洛他定?
The CAS number of 奥洛他定 is 113805-63-3.
What is the molecular formula of 奥洛他定?
The molecular formula of 奥洛他定 is C21H23NO3.
What is the molecular weight of 奥洛他定?
The molecular weight of 奥洛他定 is 337.17 g/mol.
Where can I buy 奥洛他定?
You can request a quote for 奥洛他定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥洛他定?
Yes, KEHONG BIO provides custom synthesis services for 奥洛他定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.