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CAS 625098-88-6 5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol hydrochloride molecular structure lightbox
CAS RN: 625098-88-6

5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol hydrochloride

  • Product code: SSC-171707
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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: 1g
  • 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 625098-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

625098-88-6 / 5,6,7,8-tetrahydro-1,6-naphthyridin-3-ol;hydrochloride

Standard CAS: 625098-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
625098-88-6
Multi CAS
No
Molecular Formula
C8H11CLN2O
Molecular Weight
186.640000
Exact Mass
186.055991
InChI
InChI=1S/C8H10N2O.ClH/c11-7-3-6-4-9-2-1-8(6)10-5-7;/h3,5,9,11H,1-2,4H2;1H
InChIKey
NLQFKDIAWPZSQQ-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
48.56
TPSA
45.15

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.85
Consensus LogP
0.82
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.25

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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