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CAS 2166387-65-9 BI-3802 molecular structure lightbox
CAS RN: 2166387-65-9

BI-3802

Product Availability

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12 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg In stock Shanghai Inquiry
Batchno.20250627 10mg In stock Shanghai Inquiry
Batchno.20260119 1mg In stock Shanghai Inquiry
Batchno.20250714 250mg In stock Shanghai Inquiry
Batchno.20260525 25mg In stock Shanghai Inquiry
Batchno.20250325 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 5mg / 10mg / 50mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260412 10mg In stock Inquiry
Batchno.20251024 1mg In stock Inquiry
Batchno.20250331 25mg In stock Inquiry
Batchno.20260612 50mg In stock Inquiry
Batchno.20250331 5mg In stock Inquiry
  • Product code: SSC-103933
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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: 0.1g
  • Available purity: ≥95%
  • 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 2166387-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

2166387-65-9 / 2-[6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

Standard CAS: 2166387-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2166387-65-9
Multi CAS
No
Molecular Formula
C24H29ClN6O3
Molecular Weight
485.000000
Exact Mass
484.198967
SMILES
C[C@@H]1C[C@@H](CN(C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl)C
InChI
InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+
InChIKey
GXTJETQFYHZHNB-GASCZTMLSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
134.23
TPSA
101.38

LogP / Solubility

WLOGP
3.33
MLOGP
2.97
XLogP3
4
Consensus LogP
3.43
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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