CAS RN: 950691-49-3
5-(3-Azetidinyl)-2H-tetrazole hydrochloride
- Product code: SSC-210273
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
950691-49-3 / 5-(azetidin-3-yl)-2H-tetrazole;hydrochloride
Basic Information
CAS
950691-49-3
Multi CAS
No
Molecular Formula
C4H8CLN5
Molecular Weight
161.590000
Exact Mass
161.046823
InChI
InChI=1S/C4H7N5.ClH/c1-3(2-5-1)4-6-8-9-7-4;/h3,5H,1-2H2,(H,6,7,8,9);1H
InChIKey
SAFRKXFADKMSGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.04
TPSA
66.49
LogP / Solubility
WLOGP
-0.69
MLOGP
-0.61
XLogP3
-0.69
Consensus LogP
-0.66
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.2
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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