CAS RN: 1170830-98-4
2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-OL HYDROCHLORIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1170830-98-4
- Purity/Analytical Methods: >99.0%
1170830-98-4 / 2-methyl-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride
DTXSID70610039 | 2-Methyl-1,2,3,4-tetrahydroquinolin-8-ol--hydrogen chloride (1/1) | RefChem:262844
Basic Information
CAS
1170830-98-4
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
CC1CCC2=C(N1)C(=CC=C2)O.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-4,7,11-12H,5-6H2,1H3;1H
InChIKey
RJJOGGCZHGESJX-UHFFFAOYSA-N
Synonyms
DTXSID70610039
2-Methyl-1,2,3,4-tetrahydroquinolin-8-ol--hydrogen chloride (1/1)
RefChem:262844
DTXCID00560795
2-methyl-1,2,3,4-tetrahydroquinolin-8-ol hydrochloride
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
56.76
TPSA
32.26
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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