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CAS 206989-41-5 5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE molecular structure lightbox
CAS RN: 206989-41-5

5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE

  • Product code: SSC-097451
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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 206989-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

206989-41-5 / 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine

Standard CAS: 206989-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206989-41-5
Multi CAS
No
Molecular Formula
C11H17N3
Molecular Weight
191.270000
Exact Mass
191.142248
SMILES
C1CC2=C(NC1)N=C(C=C2)CCCN
InChI
InChI=1S/C11H17N3/c12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10/h5-6H,1-4,7-8,12H2,(H,13,14)
InChIKey
BWMYVZPZPGAOPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.42
TPSA
50.94

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.94

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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