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CAS 68746-25-8 2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE molecular structure lightbox
CAS RN: 68746-25-8

2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

Product Availability

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5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 1g In stock Inquiry
Batchno.20260414 250mg In stock Inquiry
Batchno.20250226 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 1g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-178427
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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 68746-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

68746-25-8 / 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Standard CAS: 68746-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68746-25-8
Multi CAS
No
Molecular Formula
C13H20N2OS
Molecular Weight
252.380000
Exact Mass
252.129634
InChI
InChI=1S/C13H20N2OS/c1-13(2,3)7-4-5-8-9(6-7)17-12(15)10(8)11(14)16/h7H,4-6,15H2,1-3H3,(H2,14,16)
InChIKey
LBXIAHFWOUNFCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.22
TPSA
69.11

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
3.5
Consensus LogP
2.79
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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