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CAS 1060816-48-9 5-Methoxy-1,2,3,4-tetrahydro-[2,6]naphthyridine molecular structure lightbox
CAS RN: 1060816-48-9

5-Methoxy-1,2,3,4-tetrahydro-[2,6]naphthyridine

  • Product code: SSC-007903
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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 1060816-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1060816-48-9 / 5-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine

5-METHOXY-1,2,3,4-TETRAHYDRO-2,6-NAPHTHYRIDINE | DTXSID701249345 | 1,2,3,4-Tetrahydro-5-methoxy-2,6-naphthyridine

Standard CAS: 1060816-48-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060816-48-9
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
SMILES
COC1=NC=CC2=C1CCNC2
InChI
InChI=1S/C9H12N2O/c1-12-9-8-3-4-10-6-7(8)2-5-11-9/h2,5,10H,3-4,6H2,1H3
InChIKey
PWOBLYJANXSUSF-UHFFFAOYSA-N
Synonyms
5-METHOXY-1,2,3,4-TETRAHYDRO-2,6-NAPHTHYRIDINE DTXSID701249345 1,2,3,4-Tetrahydro-5-methoxy-2,6-naphthyridine RefChem:410537 DTXCID201680162

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.2
TPSA
34.15

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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