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Lonapalene structure
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Lonapalene

TL;DR: Lonapalene (CAS 91431-42-4) is a chemical compound with molecular formula C16H15ClO6 and molecular weight 338.05573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate

Also Known As: Lonapaleno, Lonapalenum, methotrexate, Lonapalenum [Latin], Lonapaleno [Spanish]

CAS Number
91431-42-4
Molecular Formula
C16H15ClO6
Molecular Weight
338.05573 g/mol
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Application Areas

Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (6 patents) Biotechnology (9 patents) Catalysts (4 patents) Heterocyclic Building Blocks (32 patents) Organic Building Blocks (74 patents)

Technical Specifications

Molecular FormulaC16H15ClO6
Molecular Weight338.05573 g/mol
XLogP3.2
Topological Polar Surface Area (TPSA)71.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass338.05573 Da
Heavy Atoms23
Complexity442.0
SMILESCC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C)OC)OC
InChIKeyIFWMVQUGSGWCRP-UHFFFAOYSA-N

Chemical Property Profile of Lonapalene

XLogP
3.2
TPSA (Topological Polar Surface Area)
71.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
23
Complexity
442.0
Exact Mass
338.05573
Monoisotopic Mass
338.05573
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Lonapalene

The XLogP value of 3.2 indicates that Lonapalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Lonapalene. Following Lipinski's Rule of Five, Lonapalene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Lonapalene?

The CAS number of Lonapalene is 91431-42-4.

What is the molecular formula of Lonapalene?

The molecular formula of Lonapalene is C16H15ClO6.

What is the molecular weight of Lonapalene?

The molecular weight of Lonapalene is 338.05573 g/mol.

Where can I buy Lonapalene?

You can request a quote for Lonapalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Lonapalene?

Yes, CoreyChem provides custom synthesis services for Lonapalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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