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CAS 57478-57-6 Naphtho[2,1-d]thiazol-2-amine, 6,7,8,9-tetrahydro- (9CI) molecular structure lightbox
CAS RN: 57478-57-6

Naphtho[2,1-d]thiazol-2-amine, 6,7,8,9-tetrahydro- (9CI)

  • Product code: SSC-165641
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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 57478-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

57478-57-6 / 6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine

Standard CAS: 57478-57-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57478-57-6
Multi CAS
No
Molecular Formula
C11H12N2S
Molecular Weight
204.290000
Exact Mass
204.072120
InChI
InChI=1S/C11H12N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h5-6H,1-4H2,(H2,12,13)
InChIKey
LUWYQPLQBLHOBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.67
TPSA
38.91

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
3.4
Consensus LogP
2.86
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

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

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