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CAS 19307-13-2 7-HYDROXY-1-NAPHTHONITRILE molecular structure lightbox
CAS RN: 19307-13-2

7-HYDROXY-1-NAPHTHONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19307-13-2
  • Purity/Analytical Methods: >99.0%
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19307-13-2 / 7-hydroxynaphthalene-1-carbonitrile

Standard CAS: 19307-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19307-13-2
Multi CAS
No
Molecular Formula
C11H7NO
Molecular Weight
169.180000
Exact Mass
169.052764
SMILES
C1=CC2=C(C=C(C=C2)O)C(=C1)C#N
InChI
InChI=1S/C11H7NO/c12-7-9-3-1-2-8-4-5-10(13)6-11(8)9/h1-6,13H
InChIKey
UDGWTXRLMHXQKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.33
TPSA
44.02

LogP / Solubility

WLOGP
2.42
MLOGP
2.12
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.04

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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