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, 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.
1187830-51-8 / 5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
5,6,7,8-Tetrahydro-1,6-naphthyridine hydrochloride | 5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HCL | 5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
Basic Information
CAS
1187830-51-8
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
170.640000
Exact Mass
170.061076
SMILES
C1CNCC2=C1N=CC=C2.Cl
InChI
InChI=1S/C8H10N2.ClH/c1-2-7-6-9-5-3-8(7)10-4-1;/h1-2,4,9H,3,5-6H2;1H
InChIKey
VYSZQJUFJGTSCJ-UHFFFAOYSA-N
Synonyms
5,6,7,8-Tetrahydro-1,6-naphthyridine hydrochloride
5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HCL
5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
MFCD11846187
5,6,7,8-Tetrahydro-1,6-naphthyridine xhydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.9
TPSA
24.92
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
1.15
Consensus LogP
1.1
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.95
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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