CAS RN: 1165923-86-3
1,2,3,4-tetrahydro-5-methyl-6-isoquinolinol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1165923-86-3
- Purity/Analytical Methods: >99.0%
1165923-86-3 / 5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol;hydrochloride
1,2,3,4-tetrahydro-5-methyl-6-Isoquinolinol | SCHEMBL3057424 | SCZFBZIEMXKKDS-UHFFFAOYSA-N
Basic Information
CAS
1165923-86-3
Multi CAS
Yes
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
CC1=C(C=CC2=C1CCNC2)O.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-7-9-4-5-11-6-8(9)2-3-10(7)12;/h2-3,11-12H,4-6H2,1H3;1H
InChIKey
JMANBDPACSNCGY-UHFFFAOYSA-N
Synonyms
1,2,3,4-tetrahydro-5-methyl-6-Isoquinolinol
SCHEMBL3057424
SCZFBZIEMXKKDS-UHFFFAOYSA-N
KCA50457
DA-30395
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.5
TPSA
32.26
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.77
Consensus LogP
1.7
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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