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CAS 67967-13-9 5-chloro-1,7-naphthyridin-8-ol molecular structure lightbox
CAS RN: 67967-13-9

5-chloro-1,7-naphthyridin-8-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67967-13-9
  • Purity/Analytical Methods: >99.0%
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67967-13-9 / 5-chloro-7H-1,7-naphthyridin-8-one

Standard CAS: 67967-13-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67967-13-9
Multi CAS
No
Molecular Formula
C8H5CLN2O
Molecular Weight
180.590000
Exact Mass
180.009041
InChI
InChI=1S/C8H5ClN2O/c9-6-4-11-8(12)7-5(6)2-1-3-10-7/h1-4H,(H,11,12)
InChIKey
YWPHBCAINYKCRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.37
TPSA
45.75

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
0.9
Consensus LogP
1.29
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.7

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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