CAS RN: 305370-84-7

4-chloro-6-nitro-1,8-naphthyridine-3-carbonitrile

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  • Product code: starshine_CAS305370-84-7
  • Purity/Analytical Methods: >99.0%
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305370-84-7 / 4-chloro-6-nitro-1,8-naphthyridine-3-carbonitrile

Standard CAS: 305370-84-7 Multi CAS: No

Basic Information

CAS
305370-84-7
Multi CAS
No
Molecular Formula
C9H3CLN4O2
Molecular Weight
234.600000
Exact Mass
233.994453
InChI
InChI=1S/C9H3ClN4O2/c10-8-5(2-11)3-12-9-7(8)1-6(4-13-9)14(15)16/h1,3-4H
InChIKey
SQWPBMZKTZRMJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
55.92
TPSA
92.71

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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