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Whi-P97 structure
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Whi-P97

TL;DR: Whi-P97 (CAS 211555-05-4) is a chemical compound with molecular formula C16H13Br2N3O3 and molecular weight 452.93237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

Also Known As: WHI-P97, jak3 inhibitor i, jak3 inhibitor iii, 2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol, WHI P97

CAS Number
211555-05-4
Molecular Formula
C16H13Br2N3O3
Molecular Weight
452.93237 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (33 patents) Pharmaceutical Intermediates (103 patents)

Technical Specifications

Molecular FormulaC16H13Br2N3O3
Molecular Weight452.93237 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)76.5 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass454.93033 Da
Heavy Atoms24
Complexity408.0
SMILESCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)O)Br)OC
InChIKeyYVCXQRVVNQMZEI-UHFFFAOYSA-N

Product Description

Applications: Whi-P97 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Whi-P97 is a pharmaceutical intermediate identified by CAS number 211555-05-4 and the molecular formula C16H13Br2N3O3 and a molecular weight of 452.93 g/mol. Synonyms include WHI-P97 and jak3 inhibitor i.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Whi-P97

XLogP
4.4
TPSA (Topological Polar Surface Area)
76.5
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
24
Complexity
408.0
Exact Mass
454.93033
Monoisotopic Mass
452.93237
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 Whi-P97

The XLogP value of 4.4 indicates that Whi-P97 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Whi-P97. Following Lipinski's Rule of Five, Whi-P97 has 2 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 Whi-P97?

The CAS number of Whi-P97 is 211555-05-4.

What is the molecular formula of Whi-P97?

The molecular formula of Whi-P97 is C16H13Br2N3O3.

What is the molecular weight of Whi-P97?

The molecular weight of Whi-P97 is 452.93237 g/mol.

What are the applications of Whi-P97?

Whi-P97 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...

Where can I buy Whi-P97?

You can request a quote for Whi-P97 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Whi-P97?

Yes, CoreyChem provides custom synthesis services for Whi-P97 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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