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CAS 105297-30-1 N8-Ethylquinoline-5,8-diamine molecular structure lightbox
CAS RN: 105297-30-1

N8-Ethylquinoline-5,8-diamine

  • Product code: SSC-007038
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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 105297-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

105297-30-1 / 8-N-ethylquinoline-5,8-diamine

8-N-Ethylquinoline-5,8-diamine | N8-ETHYLQUINOLINE-5,8-DIAMINE | MFCD12173129

Standard CAS: 105297-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105297-30-1
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CCNC1=C2C(=C(C=C1)N)C=CC=N2
InChI
InChI=1S/C11H13N3/c1-2-13-10-6-5-9(12)8-4-3-7-14-11(8)10/h3-7,13H,2,12H2,1H3
InChIKey
LTXICSUQDPHFPC-UHFFFAOYSA-N
Synonyms
8-N-Ethylquinoline-5,8-diamine N8-ETHYLQUINOLINE-5,8-DIAMINE MFCD12173129 SB67847 SY271588

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.32
TPSA
50.94

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.27

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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