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Tadalafil structure
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Tadalafil

TL;DR: Tadalafil (CAS 171596-29-5) is a chemical compound with molecular formula C22H19N3O4 and molecular weight 389.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Also Known As: Tadalafil, Cialis, Tadanafil, ADCIRCA, Tadalafilo

CAS Number
171596-29-5
Molecular Formula
C22H19N3O4
Molecular Weight
389.13754 g/mol
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Application Areas

Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (11 patents) Analytical Reagents (14 patents) Biotechnology (29 patents) Coatings & Adhesives (1 patents) Electronic Chemicals (4 patents)

Technical Specifications

Molecular FormulaC22H19N3O4
Molecular Weight389.13754 g/mol
XLogP2.3
Topological Polar Surface Area (TPSA)74.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds1
Exact Mass389.13754 Da
Heavy Atoms29
Complexity702.0
Melting Point301-302 °C
Vapor Pressure2.2X10-14 mm Hg at 25 °C /Estimated/
SolubilityPractically insoluble in water
SMILESCN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
InChIKeyWOXKDUGGOYFFRN-IIBYNOLFSA-N

Chemical Property Profile of Tadalafil

XLogP
2.3
TPSA (Topological Polar Surface Area)
74.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
29
Complexity
702.0
Exact Mass
389.13754
Monoisotopic Mass
389.13754
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 Tadalafil

The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tadalafil. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tadalafil. Following Lipinski's Rule of Five, Tadalafil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Tadalafil?

The CAS number of Tadalafil is 171596-29-5.

What is the molecular formula of Tadalafil?

The molecular formula of Tadalafil is C22H19N3O4.

What is the molecular weight of Tadalafil?

The molecular weight of Tadalafil is 389.13754 g/mol.

Where can I buy Tadalafil?

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

Does CoreyChem offer custom synthesis for Tadalafil?

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

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