CAS RN: 137110-42-0
2-AMINO-6-CHLORO-3-METHYLQUINOLINE
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.20260521 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS137110-42-0
- Purity/Analytical Methods: >99.0%
137110-42-0 / 6-chloro-3-methylquinolin-2-amine
Basic Information
CAS
137110-42-0
Multi CAS
No
Molecular Formula
C10H9ClN2
Molecular Weight
192.640000
Exact Mass
192.045426
SMILES
CC1=CC2=C(C=CC(=C2)Cl)N=C1N
InChI
InChI=1S/C10H9ClN2/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKey
VHUGVEXJEVUWSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.9
TPSA
38.91
LogP / Solubility
WLOGP
2.78
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
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