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CAS 132635-95-1 S-1,1-dioxide-tetrahydro-3H-Pyrrolo[1,2-c][1,2,3]oxathiazole molecular structure lightbox
CAS RN: 132635-95-1

S-1,1-dioxide-tetrahydro-3H-Pyrrolo[1,2-c][1,2,3]oxathiazole

  • Product code: SSC-039439
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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 132635-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

132635-95-1 / (3aS)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c]oxathiazole 1,1-dioxide

Standard CAS: 132635-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132635-95-1
Multi CAS
No
Molecular Formula
C5H9NO3S
Molecular Weight
163.200000
Exact Mass
163.030314
SMILES
C1C[C@H]2COS(=O)(=O)N2C1
InChI
InChI=1S/C5H9NO3S/c7-10(8)6-3-1-2-5(6)4-9-10/h5H,1-4H2/t5-/m0/s1
InChIKey
WFFHPXGNIIMFHE-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
34.6
TPSA
46.61

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.25
XLogP3
-0.1
Consensus LogP
-0.21
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
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)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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