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CAS 1630086-20-2 Amgen IRE1α Inhibitor molecular structure lightbox
CAS RN: 1630086-20-2

Amgen IRE1α Inhibitor

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 100mg In stock Shanghai Inquiry
Batchno.20260320 10mg In stock Shanghai Inquiry
Batchno.20250428 1g In stock Shanghai Inquiry
Batchno.20260624 250mg In stock Shanghai Inquiry
Batchno.20250310 25mg In stock Shanghai Inquiry
Batchno.20251219 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 5mg In stock Shanghai Inquiry
  • Product code: SSC-070552
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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: 0.025g
  • 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 1630086-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g ≥95% 0 Out of Stock Shanghai Inquiry

1630086-20-2 / 2-chloro-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzenesulfonamide

Standard CAS: 1630086-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630086-20-2
Multi CAS
No
Molecular Formula
C31H29ClN6O3S
Molecular Weight
601.100000
Exact Mass
600.171038
SMILES
CC1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C3=CC=CC=C3Cl)OC4=C(C=CC=N4)C5=NC(=NC=C5)N[C@H]6CCCNC6
InChI
InChI=1S/C31H29ClN6O3S/c1-20-13-14-22-23(8-4-11-27(22)38-42(39,40)28-12-3-2-10-25(28)32)29(20)41-30-24(9-6-17-34-30)26-15-18-35-31(37-26)36-21-7-5-16-33-19-21/h2-4,6,8-15,17-18,21,33,38H,5,7,16,19H2,1H3,(H,35,36,37)/t21-/m0/s1
InChIKey
XMWUCMFVDXDRDE-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
28
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
165.8
TPSA
118.13

LogP / Solubility

WLOGP
6.41
MLOGP
5.69
XLogP3
5.9
Consensus LogP
6
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-9.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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