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CAS 313535-27-2 1-naphthalen-1-yltetrazole molecular structure lightbox
CAS RN: 313535-27-2

1-naphthalen-1-yltetrazole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS313535-27-2
  • Purity/Analytical Methods: >99.0%
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313535-27-2 / 1-naphthalen-1-yltetrazole

Standard CAS: 313535-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313535-27-2
Multi CAS
No
Molecular Formula
C11H8N4
Molecular Weight
196.210000
Exact Mass
196.074896
InChI
InChI=1S/C11H8N4/c1-2-6-10-9(4-1)5-3-7-11(10)15-8-12-13-14-15/h1-8H
InChIKey
OAARHCJLFHFWNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.66
TPSA
43.6

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
2.5
Consensus LogP
1.97
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.63

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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