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CAS 1071541-08-6 8-Chloro-1,5-naphthyridin-3-ol molecular structure lightbox
CAS RN: 1071541-08-6

8-Chloro-1,5-naphthyridin-3-ol

  • Product code: SSC-008614
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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 1071541-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1071541-08-6 / 8-chloro-1,5-naphthyridin-3-ol

8-chloro-1,5-naphthyridin-3-ol | SCHEMBL2207284 | BEZIBZMIDJJLLD-UHFFFAOYSA-N

Standard CAS: 1071541-08-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071541-08-6
Multi CAS
No
Molecular Formula
C8H5ClN2O
Molecular Weight
180.590000
Exact Mass
180.009041
SMILES
C1=CN=C2C=C(C=NC2=C1Cl)O
InChI
InChI=1S/C8H5ClN2O/c9-6-1-2-10-7-3-5(12)4-11-8(6)7/h1-4,12H
InChIKey
BEZIBZMIDJJLLD-UHFFFAOYSA-N
Synonyms
8-chloro-1,5-naphthyridin-3-ol SCHEMBL2207284 BEZIBZMIDJJLLD-UHFFFAOYSA-N MFCD26400871 SY311065

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.21
TPSA
46.01

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

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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