CAS RN: 63430-96-6

2-hydroxyMethyl-1,2,3,4-tetrahydroquinoline

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Batchno.20260504 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS63430-96-6
  • Purity/Analytical Methods: >99.0%
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63430-96-6 / [(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methanol

Standard CAS: 63430-96-6 Multi CAS: Yes

Basic Information

CAS
63430-96-6
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/t9-/m0/s1
InChIKey
QSDYZRIUFBMUGV-VIFPVBQESA-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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