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CAS 1227633-49-9 SteMRegenin 1 molecular structure lightbox
CAS RN: 1227633-49-9

SteMRegenin 1

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 10mg / 50mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100mg Out of stock Inquiry
Batchno.20260605 10mg In stock Shanghai Inquiry
Batchno.20250118 1mg In stock Shanghai Inquiry
Batchno.20260225 250mg In stock Shanghai Inquiry
Batchno.20260122 25mg In stock Shanghai Inquiry
Batchno.20250311 50mg In stock Shanghai Inquiry
  • Product code: SSC-026239
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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 1227633-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1227633-49-9 / 4-[2-[[2-(1-benzothiophen-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol

Standard CAS: 1227633-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227633-49-9
Multi CAS
No
Molecular Formula
C24H23N5OS
Molecular Weight
429.500000
Exact Mass
429.162332
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)C3=CSC4=CC=CC=C43)NCCC5=CC=C(C=C5)O
InChI
InChI=1S/C24H23N5OS/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28)
InChIKey
BGFHMYJZJZLMHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
126.83
TPSA
75.86

LogP / Solubility

WLOGP
5.65
MLOGP
5
XLogP3
5.4
Consensus LogP
5.35
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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