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CAS 1086392-66-6 2-Benzyldecahydro-2,6-naphthyridine molecular structure lightbox
CAS RN: 1086392-66-6

2-Benzyldecahydro-2,6-naphthyridine

  • Product code: SSC-009923
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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: 0.25g
  • 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 1086392-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1086392-66-6 / 6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine

2-BENZYLDECAHYDRO-2,6-NAPHTHYRIDINE | 2-Benzyl-decahydro-[2,6]naphthyridine | 6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine

Standard CAS: 1086392-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086392-66-6
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
C1CNCC2C1CN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-4-13(5-3-1)11-17-9-7-14-10-16-8-6-15(14)12-17/h1-5,14-16H,6-12H2
InChIKey
HMEQPPDSBRYYKW-UHFFFAOYSA-N
Synonyms
2-BENZYLDECAHYDRO-2,6-NAPHTHYRIDINE 2-Benzyl-decahydro-[2,6]naphthyridine 6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine MFCD11506197 DTXSID301259251

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.8
TPSA
15.27

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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