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CAS 119990-33-9 6-METHOXYQUINOLIN-2-AMINE molecular structure lightbox
CAS RN: 119990-33-9

6-METHOXYQUINOLIN-2-AMINE

  • Product code: SSC-020761
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119990-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

119990-33-9 / 6-methoxyquinolin-2-amine

6-methoxyquinolin-2-amine | DTXSID00280365 | RefChem:308856

Standard CAS: 119990-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119990-33-9
Multi CAS
Yes
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
COC1=CC2=C(C=C1)N=C(C=C2)N
InChI
InChI=1S/C10H10N2O/c1-13-8-3-4-9-7(6-8)2-5-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey
IADRCPCBGGCJKR-UHFFFAOYSA-N
Synonyms
6-methoxyquinolin-2-amine DTXSID00280365 RefChem:308856 DTXCID00231519 2-Quinolinamine, 6-methoxy-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.71
TPSA
48.14

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

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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