非索非那定
TL;DR: 非索非那定 (CAS 83799-24-0) is a chemical compound with molecular formula C32H39NO4 and molecular weight 501.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
非索非那定
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
Also Known As: fexofenadine, Carboxyterfenadine, Allegra, Terfenadine-COOH, Terfenadine carboxylate
| Molecular Formula | C32H39NO4 |
|---|---|
| Molecular Weight | 501.29 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.2879 |
| Heavy Atoms | 37 |
| Complexity | 678.0 |
| Melting Point | 142.5 |
| Solubility | Slightly soluble |
Chemical Identifiers
| CAS Number | 83799-24-0 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
非索非那定 (CAS 83799-24-0), with molecular formula C32H39NO4 and molecular weight 501.29 g/mol. IUPAC: 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid.
Chemical Property Profile of 非索非那定
Property Insights of 非索非那定
The XLogP value of 3.0 indicates that 非索非那定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 非索非那定. Following Lipinski's Rule of Five, 非索非那定 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 非索非那定?
The CAS number of 非索非那定 is 83799-24-0.
What is the molecular formula of 非索非那定?
The molecular formula of 非索非那定 is C32H39NO4.
What is the molecular weight of 非索非那定?
The molecular weight of 非索非那定 is 501.29 g/mol.
Where can I buy 非索非那定?
You can request a quote for 非索非那定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 非索非那定?
Yes, KEHONG BIO provides custom synthesis services for 非索非那定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.