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CAS 5443-31-2 4,6-DIAMINO-2-METHYL-QUINOLINE molecular structure lightbox
CAS RN: 5443-31-2

4,6-DIAMINO-2-METHYL-QUINOLINE

  • Product code: SSC-162107
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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 5443-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5443-31-2 / 2-methylquinoline-4,6-diamine

Standard CAS: 5443-31-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5443-31-2
Multi CAS
Yes
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
InChI
InChI=1S/C10H11N3/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,11H2,1H3,(H2,12,13)
InChIKey
XKDPIURMGBVXAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.3
TPSA
64.93

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.56

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
1.5

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