依巴斯汀
TL;DR: 依巴斯汀 (CAS 90729-43-4) is a chemical compound with molecular formula C32H39NO2 and molecular weight 469.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依巴斯汀
4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
Also Known As: ebastine, Ebastel, Kestine, Ebastin, Ebastina
| Molecular Formula | C32H39NO2 |
|---|---|
| Molecular Weight | 469.30 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 469.29807 |
| Heavy Atoms | 35 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 90729-43-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | MJJALKDDGIKVBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依巴斯汀 (CAS 90729-43-4), with molecular formula C32H39NO2 and molecular weight 469.30 g/mol. IUPAC: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one.
Chemical Property Profile of 依巴斯汀
Property Insights of 依巴斯汀
The XLogP value of 7.2 indicates that 依巴斯汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 依巴斯汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依巴斯汀 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 依巴斯汀?
The CAS number of 依巴斯汀 is 90729-43-4.
What is the molecular formula of 依巴斯汀?
The molecular formula of 依巴斯汀 is C32H39NO2.
What is the molecular weight of 依巴斯汀?
The molecular weight of 依巴斯汀 is 469.30 g/mol.
Where can I buy 依巴斯汀?
You can request a quote for 依巴斯汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依巴斯汀?
Yes, KEHONG BIO provides custom synthesis services for 依巴斯汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.