氯雷他定
TL;DR: 氯雷他定 (CAS 79794-75-5) is a chemical compound with molecular formula C22H23ClN2O2 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯雷他定
ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Also Known As: loratadine, Claritin, Clarityn, Alavert, Loratidine
| Molecular Formula | C22H23ClN2O2 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1448 |
| Heavy Atoms | 27 |
| Complexity | 569.0 |
| Melting Point | 134-136 °C |
| Solubility | <1 mg/ml at 25°C |
Chemical Identifiers
| CAS Number | 79794-75-5 |
|---|---|
| SMILES | CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 |
| InChIKey | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯雷他定 (CAS 79794-75-5), with molecular formula C22H23ClN2O2 and molecular weight 382.14 g/mol. IUPAC: ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate.
Chemical Property Profile of 氯雷他定
Property Insights of 氯雷他定
The XLogP value of 5.2 indicates that 氯雷他定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 氯雷他定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯雷他定 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 氯雷他定?
The CAS number of 氯雷他定 is 79794-75-5.
What is the molecular formula of 氯雷他定?
The molecular formula of 氯雷他定 is C22H23ClN2O2.
What is the molecular weight of 氯雷他定?
The molecular weight of 氯雷他定 is 382.14 g/mol.
Where can I buy 氯雷他定?
You can request a quote for 氯雷他定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯雷他定?
Yes, KEHONG BIO provides custom synthesis services for 氯雷他定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.