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CAS 138650-26-7 3-Thietanecarboxylicacid,3-amino-(9CI) molecular structure lightbox
CAS RN: 138650-26-7

3-Thietanecarboxylicacid,3-amino-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-048634
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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 138650-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

138650-26-7 / 3-aminothietane-3-carboxylic acid

Standard CAS: 138650-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138650-26-7
Multi CAS
No
Molecular Formula
C4H7NO2S
Molecular Weight
133.170000
Exact Mass
133.019750
SMILES
C1C(CS1)(C(=O)O)N
InChI
InChI=1S/C4H7NO2S/c5-4(3(6)7)1-8-2-4/h1-2,5H2,(H,6,7)
InChIKey
JEDSDHIXKWUWHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.88
TPSA
63.32

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-3.1
Consensus LogP
-1.34
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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