CAS RN: 64170-55-4
4-(5-METHYL-1H-TETRAZOL-1-YL)ANILINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260505 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS64170-55-4
- Purity/Analytical Methods: >99.0%
64170-55-4 / 4-(5-methyltetrazol-1-yl)aniline
Basic Information
CAS
64170-55-4
Multi CAS
No
Molecular Formula
C8H9N5
Molecular Weight
175.190000
Exact Mass
175.085795
InChI
InChI=1S/C8H9N5/c1-6-10-11-12-13(6)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
InChIKey
NWSABTXLPRLZII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.3
TPSA
69.62
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.9
Consensus LogP
0.64
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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