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CAS 2230836-55-0 BI-3406 molecular structure lightbox
CAS RN: 2230836-55-0

BI-3406

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 100mg In stock Shanghai Inquiry
Batchno.20250128 10mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260105 1g Out of stock Inquiry
Batchno.20250412 250mg In stock Shanghai Inquiry
Batchno.20250322 50mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-108693
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2230836-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

2230836-55-0 / N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

Standard CAS: 2230836-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2230836-55-0
Multi CAS
No
Molecular Formula
C23H25F3N4O3
Molecular Weight
462.500000
Exact Mass
462.187875
SMILES
CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)O[C@H]4CCOC4)OC
InChI
InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1
InChIKey
XVFDNRYZXDHTHT-PXAZEXFGSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
118.57
TPSA
91.52

LogP / Solubility

WLOGP
4.89
MLOGP
4.33
XLogP3
4.3
Consensus LogP
4.51
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

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
4

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