CAS RN: 1353101-01-5
5,6,7,8-tetrahydro-1,6-naphthyridin-3-aMine hydrochloride
- Product code: SSC-043517
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
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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1353101-01-5 / 5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine;hydrochloride
Basic Information
CAS
1353101-01-5
Multi CAS
No
Molecular Formula
C8H12ClN3
Molecular Weight
185.650000
Exact Mass
185.071975
SMILES
C1CNCC2=C1N=CC(=C2)N.Cl
InChI
InChI=1S/C8H11N3.ClH/c9-7-3-6-4-10-2-1-8(6)11-5-7;/h3,5,10H,1-2,4,9H2;1H
InChIKey
OWXBECPQNAFQBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.31
TPSA
50.94
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.33
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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