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CAS 211555-04-3 WHI-P154 molecular structure lightbox
CAS RN: 211555-04-3

WHI-P154

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250427 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260314 10mg In stock Shanghai Inquiry
Batchno.20250518 1g Out of stock Inquiry
Batchno.20260423 1mg In stock Shanghai Inquiry
Batchno.20250513 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260131 50mg In stock Shanghai Inquiry
Batchno.20260129 5mg In stock Shanghai Inquiry
  • Product code: SSC-101049
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 211555-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry

211555-04-3 / 2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

Standard CAS: 211555-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211555-04-3
Multi CAS
No
Molecular Formula
C16H14BrN3O3
Molecular Weight
376.200000
Exact Mass
375.021850
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OC
InChI
InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)
InChIKey
CBIAKDAYHRWZCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
91.73
TPSA
76.5

LogP / Solubility

WLOGP
3.86
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.66
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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