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CAS 50741-36-1 1,2,3,4-Tetrahydroquinoline-6-carbonitrile molecular structure lightbox
CAS RN: 50741-36-1

1,2,3,4-Tetrahydroquinoline-6-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-157454
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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: ＞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 50741-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

50741-36-1 / 1,2,3,4-tetrahydroquinoline-6-carbonitrile

Standard CAS: 50741-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50741-36-1
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
InChI
InChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5H2
InChIKey
YPCHNZDCUARXNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.97
TPSA
35.82

LogP / Solubility

WLOGP
1.92
MLOGP
1.68
XLogP3
2
Consensus LogP
1.87
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.32

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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