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CAS 886362-43-2 8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-METHYLAMINE molecular structure lightbox
CAS RN: 886362-43-2

8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-METHYLAMINE

  • Product code: SSC-199809
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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: 0.1g
  • 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 886362-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

886362-43-2 / tert-butyl 7-(aminomethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

Standard CAS: 886362-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886362-43-2
Multi CAS
No
Molecular Formula
C14H21N3O2
Molecular Weight
263.340000
Exact Mass
263.163377
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-8-4-5-10-6-7-11(9-15)16-12(10)17/h6-7H,4-5,8-9,15H2,1-3H3
InChIKey
MNWCZZLNXDJWKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.03
TPSA
68.45

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
1.2
Consensus LogP
1.8
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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