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CAS 2141955-96-4 BLU-782 molecular structure lightbox
CAS RN: 2141955-96-4

BLU-782

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 1mg / 10mg / 25mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg In stock Inquiry
Batchno.20250806 10mg In stock Inquiry
Batchno.20251109 25mg In stock Inquiry
Batchno.20260103 50mg In stock Inquiry
Batchno.20260114 5mg In stock Inquiry
  • Product code: SSC-102671
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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: ≥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 2141955-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2141955-96-4 / [(3R)-oxolan-3-yl] 4-[6-[5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate

Standard CAS: 2141955-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2141955-96-4
Multi CAS
No
Molecular Formula
C31H42N6O4
Molecular Weight
562.700000
Exact Mass
562.326754
SMILES
CCOC1(CCN(CC1)C(C)C)C2=CN=C(C=C2)C3=CN4C(=C3)C(=CC=N4)N5CCN(CC5)C(=O)O[C@@H]6CCOC6
InChI
InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1
InChIKey
SWVYYNLRVIYURK-AREMUKBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
15
Fraction Csp3
0.58
Rotatable bonds
7
H-bond acceptors
9
Molar refractivity
157.16
TPSA
84.67

LogP / Solubility

WLOGP
4.18
MLOGP
3.72
XLogP3
2.7
Consensus LogP
3.53
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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