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CAS 149355-52-2 7-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE molecular structure lightbox
CAS RN: 149355-52-2

7-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250403 1g In stock Inquiry
Batchno.20250112 250mg Out of stock Inquiry
Batchno.20251103 50mg In stock Inquiry
  • Product code: SSC-059379
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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 149355-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

149355-52-2 / 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile

Standard CAS: 149355-52-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149355-52-2
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
SMILES
C1CNCC2=C1C=CC(=C2)C#N
InChI
InChI=1S/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
InChIKey
LJFNUFCUPDECPC-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
46.57
TPSA
35.82

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P391, P405, and P501

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