Levocabastine hydrochloride
TL;DR: Levocabastine hydrochloride (CAS 79547-78-7) is a chemical compound with molecular formula C26H30ClFN2O2 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
Also Known As: LEVOCABASTINE HYDROCHLORIDE, Livostin, Levocabastine HCl, Levophta, levocabastine
| Molecular Formula | C26H30ClFN2O2 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.32 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.198 |
| Heavy Atoms | 32 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 79547-78-7 |
|---|---|
| SMILES | C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl |
| InChIKey | OICFWWJHIMKBCD-SFUPJVRMSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Levocabastine hydrochloride (CAS 79547-78-7), with molecular formula C26H30ClFN2O2 and molecular weight 456.20 g/mol. IUPAC: (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride.
Chemical Property Profile of Levocabastine hydrochloride
Property Insights of Levocabastine hydrochloride
The XLogP value of 5.32 indicates that Levocabastine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Levocabastine hydrochloride. Following Lipinski's Rule of Five, Levocabastine hydrochloride has 2 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 Levocabastine hydrochloride?
The CAS number of Levocabastine hydrochloride is 79547-78-7.
What is the molecular formula of Levocabastine hydrochloride?
The molecular formula of Levocabastine hydrochloride is C26H30ClFN2O2.
What is the molecular weight of Levocabastine hydrochloride?
The molecular weight of Levocabastine hydrochloride is 456.20 g/mol.
Where can I buy Levocabastine hydrochloride?
You can request a quote for Levocabastine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Levocabastine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Levocabastine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.