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Pocapavir structure
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Pocapavir

TL;DR: Pocapavir (CAS 146949-21-5) is a chemical compound with molecular formula C21H17Cl3O3 and molecular weight 422.02432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene

Also Known As: Pocapavir, pocapavirum, Pocapavir [INN], Pocapavir?, v-073

CAS Number
146949-21-5
Molecular Formula
C21H17Cl3O3
Molecular Weight
422.02432 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (11 patents) Organic Building Blocks (12 patents) Pharmaceutical Intermediates (12 patents)

Technical Specifications

Molecular FormulaC21H17Cl3O3
Molecular Weight422.02432 g/mol
XLogP6.7
Topological Polar Surface Area (TPSA)27.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors3
Rotatable Bonds7
Exact Mass422.02432 Da
Heavy Atoms27
Complexity421.0
SMILESCOC1=CC(=C(C=C1)OCC2=CC=C(C=C2)COC3=C(C=CC=C3Cl)Cl)Cl
InChIKeyXXMDDBVNWRWNCW-UHFFFAOYSA-N

Chemical Property Profile of Pocapavir

XLogP
6.7
TPSA (Topological Polar Surface Area)
27.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
Rotatable Bonds
7
Heavy Atoms
27
Complexity
421.0
Exact Mass
422.02432
Monoisotopic Mass
422.02432
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 Pocapavir

The XLogP value of 6.7 indicates that Pocapavir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Pocapavir exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pocapavir has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Pocapavir?

The CAS number of Pocapavir is 146949-21-5.

What is the molecular formula of Pocapavir?

The molecular formula of Pocapavir is C21H17Cl3O3.

What is the molecular weight of Pocapavir?

The molecular weight of Pocapavir is 422.02432 g/mol.

Where can I buy Pocapavir?

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

Does CoreyChem offer custom synthesis for Pocapavir?

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

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