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CAS 350996-91-7 2-Amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile molecular structure lightbox
CAS RN: 350996-91-7

2-Amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-141825
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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 350996-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

350996-91-7 / 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Standard CAS: 350996-91-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
350996-91-7
Multi CAS
No
Molecular Formula
C12H16N2S
Molecular Weight
220.340000
Exact Mass
220.103420
InChI
InChI=1S/C12H16N2S/c1-2-3-8-4-5-9-10(7-13)12(14)15-11(9)6-8/h8H,2-6,14H2,1H3
InChIKey
CMJOQDLSCOMRQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.87
TPSA
49.81

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
4.3
Consensus LogP
3.38
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

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

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