左卡巴斯汀
TL;DR: 左卡巴斯汀 (CAS 79516-68-0) is a chemical compound with molecular formula C26H29FN2O2 and molecular weight 420.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
左卡巴斯汀
1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
Also Known As: Cabastine, levocabastine, Cabastinum, Cabastina, Cabastine [INN]
| Molecular Formula | C26H29FN2O2 |
|---|---|
| Molecular Weight | 420.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.2213 |
| Heavy Atoms | 31 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 79516-68-0 |
|---|---|
| SMILES | CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F |
| InChIKey | ZCGOMHNNNFPNMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
左卡巴斯汀 (CAS 79516-68-0), with molecular formula C26H29FN2O2 and molecular weight 420.22 g/mol. IUPAC: 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid.
Chemical Property Profile of 左卡巴斯汀
Property Insights of 左卡巴斯汀
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 左卡巴斯汀. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 左卡巴斯汀. Following Lipinski's Rule of Five, 左卡巴斯 has 1 hydrogen bond donor(s) and 5 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 左卡巴斯?
The CAS number of 左卡巴斯 is 79516-68-0.
What is the molecular formula of 左卡巴斯?
The molecular formula of 左卡巴斯 is C26H29FN2O2.
What is the molecular weight of 左卡巴斯?
The molecular weight of 左卡巴斯 is 420.22 g/mol.
Where can I buy 左卡巴斯?
You can request a quote for 左卡巴斯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 左卡巴斯?
Yes, KEHONG BIO provides custom synthesis services for 左卡巴斯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.