利拉萘酯
TL;DR: 利拉萘酯 (CAS 88678-31-3) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
利拉萘酯
O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate
Also Known As: Liranaftate, Piritetrate, Zefnart, Liranaftato, Liranaftatum
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 88678-31-3 |
|---|---|
| SMILES | CN(C1=NC(=CC=C1)OC)C(=S)OC2=CC3=C(CCCC3)C=C2 |
| InChIKey | VPHPQNGOVQYUMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
利拉萘酯 (CAS 88678-31-3), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate.
Chemical Property Profile of 利拉萘酯
Property Insights of 利拉萘酯
The XLogP value of 4.9 indicates that 利拉萘酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 利拉萘酯. Following Lipinski's Rule of Five, 利拉萘酯 has 0 hydrogen bond donor(s) and 4 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 利拉萘酯?
The CAS number of 利拉萘酯 is 88678-31-3.
What is the molecular formula of 利拉萘酯?
The molecular formula of 利拉萘酯 is C18H20N2O2S.
What is the molecular weight of 利拉萘酯?
The molecular weight of 利拉萘酯 is 328.12 g/mol.
Where can I buy 利拉萘酯?
You can request a quote for 利拉萘酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 利拉萘酯?
Yes, KEHONG BIO provides custom synthesis services for 利拉萘酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.