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CAS 4651-73-4 2-AMINO-4-PHENYL-3-THIOPHENECARBONITRILE molecular structure lightbox
CAS RN: 4651-73-4

2-AMINO-4-PHENYL-3-THIOPHENECARBONITRILE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 1g In stock Shanghai Inquiry
Batchno.20250117 25g In stock Chengdu Inquiry
Batchno.20251227 5g In stock Chengdu Inquiry
  • Product code: SSC-153878
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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: 5g
  • Available purity: ＞97%
  • 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 4651-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

4651-73-4 / 2-amino-4-phenylthiophene-3-carbonitrile

Standard CAS: 4651-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4651-73-4
Multi CAS
No
Molecular Formula
C11H8N2S
Molecular Weight
200.260000
Exact Mass
200.040819
InChI
InChI=1S/C11H8N2S/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKey
RMSVWOYCWFNSCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.88
TPSA
49.81

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-1.9

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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