CAS RN: 2402830-89-9
decahydro-2,7-naphthyridinedihydrochloride
- Product code: SSC-117081
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2402830-89-9 / 1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;dihydrochloride
Basic Information
CAS
2402830-89-9
Multi CAS
No
Molecular Formula
C8H18Cl2N2
Molecular Weight
213.150000
Exact Mass
212.084704
SMILES
C1CNCC2C1CCNC2.Cl.Cl
InChI
InChI=1S/C8H16N2.2ClH/c1-3-9-5-8-6-10-4-2-7(1)8;;/h7-10H,1-6H2;2*1H
InChIKey
VNWMPBDLRCYICR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.45
TPSA
24.06
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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