CAS RN: 63430-98-8

L-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID HYDROCHLORIDE

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  • Product code: starshine_CAS63430-98-8
  • Purity/Analytical Methods: >99.0%
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63430-98-8 / (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride

Standard CAS: 63430-98-8 Multi CAS: Yes

Basic Information

CAS
63430-98-8
Multi CAS
Yes
Molecular Formula
C10H12CLNO2
Molecular Weight
213.660000
Exact Mass
213.055656
InChI
InChI=1S/C10H11NO2.ClH/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H/t9-;/m0./s1
InChIKey
QCFTXGXKUNDYFE-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.06
TPSA
49.33

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.92
Consensus LogP
1.84
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

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