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CAS 945-80-2 N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide molecular structure lightbox
CAS RN: 945-80-2

N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-209556
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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 945-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

945-80-2 / N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide

Standard CAS: 945-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945-80-2
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
InChI
InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKey
HCEIEGOMGWEGOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.24
TPSA
41.13

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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