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CAS 881291-07-2 6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2-amine molecular structure lightbox
CAS RN: 881291-07-2

6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2-amine

  • Product code: SSC-198601
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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 881291-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

881291-07-2 / 6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-amine

Standard CAS: 881291-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881291-07-2
Multi CAS
No
Molecular Formula
C11H13N3O2S2
Molecular Weight
283.400000
Exact Mass
283.044919
InChI
InChI=1S/C11H13N3O2S2/c12-11-13-9-4-3-8(7-10(9)17-11)18(15,16)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13)
InChIKey
KCOATLSYQAGZKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.03
TPSA
76.29

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.61
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

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

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