CAS RN: 950725-13-0
5-(3-Azetidinyl)-2H-tetrazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS950725-13-0
- Purity/Analytical Methods: >99.0%
950725-13-0 / 5-(azetidin-3-yl)-2H-tetrazole
Basic Information
CAS
950725-13-0
Multi CAS
No
Molecular Formula
C4H7N5
Molecular Weight
125.130000
Exact Mass
125.070145
InChI
InChI=1S/C4H7N5/c1-3(2-5-1)4-6-8-9-7-4/h3,5H,1-2H2,(H,6,7,8,9)
InChIKey
XTUWELXPIPDXIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
29.79
TPSA
66.49
LogP / Solubility
WLOGP
-1.11
MLOGP
-0.99
XLogP3
-1.1
Consensus LogP
-1.07
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.33
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27
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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