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CAS 161715-27-1 3-Hydroxy-1-(1,3-thiazolin-2-yl)azetidine molecular structure lightbox
CAS RN: 161715-27-1

3-Hydroxy-1-(1,3-thiazolin-2-yl)azetidine

  • Product code: SSC-069340
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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: 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 161715-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

161715-27-1 / 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-ol

Standard CAS: 161715-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161715-27-1
Multi CAS
No
Molecular Formula
C6H10N2OS
Molecular Weight
158.220000
Exact Mass
158.051384
SMILES
C1CSC(=N1)N2CC(C2)O
InChI
InChI=1S/C6H10N2OS/c9-5-3-8(4-5)6-7-1-2-10-6/h5,9H,1-4H2
InChIKey
SBRPTNRHTKKATC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.34
TPSA
35.83

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.5
Consensus LogP
-0.31
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.85

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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