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CAS 14389-13-0 5-Propyl-2H-tetrazole molecular structure lightbox
CAS RN: 14389-13-0

5-Propyl-2H-tetrazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS14389-13-0
  • Purity/Analytical Methods: >99.0%
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14389-13-0 / 5-propyl-2H-tetrazole

Standard CAS: 14389-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14389-13-0
Multi CAS
No
Molecular Formula
C4H8N4
Molecular Weight
112.130000
Exact Mass
112.074896
SMILES
CCCC1=NNN=N1
InChI
InChI=1S/C4H8N4/c1-2-3-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
InChIKey
JAHCQVVOKAFXQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.17
TPSA
54.46

LogP / Solubility

WLOGP
0.15
MLOGP
0.12
XLogP3
0.7
Consensus LogP
0.32
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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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