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CAS 321945-24-8 N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide molecular structure lightbox
CAS RN: 321945-24-8

N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250102 1g Out of stock Inquiry
Batchno.20260524 250mg Out of stock Inquiry
  • Product code: SSC-137762
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 321945-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry

321945-24-8 / N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide

Standard CAS: 321945-24-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321945-24-8
Multi CAS
Yes
Molecular Formula
C18H18N2OS
Molecular Weight
310.400000
Exact Mass
310.113984
InChI
InChI=1S/C18H18N2OS/c19-12-15-14-8-4-5-9-16(14)22-18(15)20-17(21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21)
InChIKey
JFULSLXRHNJOEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.07
TPSA
52.89

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4.5
Consensus LogP
4.05
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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