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CAS 40971-36-6 1,2,3,4-Tetrahydro-2-quinolinemethanol molecular structure lightbox
CAS RN: 40971-36-6

1,2,3,4-Tetrahydro-2-quinolinemethanol

  • Product code: SSC-149364
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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 40971-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

40971-36-6 / [(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methanol

Standard CAS: 40971-36-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40971-36-6
Multi CAS
Yes
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
InChI
InChI=1S/C10H13NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-4,9,11-12H,5-7H2
InChIKey
QSDYZRIUFBMUGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.26
TPSA
32.26

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.7
Consensus LogP
1.45
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.72

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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