WHI-P97
TL;DR: WHI-P97 (CAS 211555-05-4) is a chemical compound with molecular formula C16H13Br2N3O3 and molecular weight 452.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WHI-P97
2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Also Known As: jak3 inhibitor i, jak3 inhibitor iii, 2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol, WHI-P-97;WHI P97, J1.451.529A
| Molecular Formula | C16H13Br2N3O3 |
|---|---|
| Molecular Weight | 452.93 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.93033 |
| Heavy Atoms | 24 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 211555-05-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C(=C3)Br)O)Br)OC |
| InChIKey | YVCXQRVVNQMZEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
WHI-P97 (CAS 211555-05-4), with molecular formula C16H13Br2N3O3 and molecular weight 452.93 g/mol. IUPAC: 2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol.
Chemical Property Profile of WHI-P97
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
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 452.93 g/mol.
Where can I buy Whi-P97?
You can request a quote for Whi-P97 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Whi-P97?
Yes, KEHONG BIO provides custom synthesis services for Whi-P97 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.