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CAS 88686-30-0 2-Benzothiazolamine,4-methoxy-7-methyl-(9CI) molecular structure lightbox
CAS RN: 88686-30-0

2-Benzothiazolamine,4-methoxy-7-methyl-(9CI)

  • Product code: SSC-200173
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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 88686-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

88686-30-0 / 4-methoxy-7-methyl-1,3-benzothiazol-2-amine

Standard CAS: 88686-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88686-30-0
Multi CAS
No
Molecular Formula
C9H10N2OS
Molecular Weight
194.260000
Exact Mass
194.051384
InChI
InChI=1S/C9H10N2OS/c1-5-3-4-6(12-2)7-8(5)13-9(10)11-7/h3-4H,1-2H3,(H2,10,11)
InChIKey
BPFSLCTUFLBWNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.32
TPSA
48.14

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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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