CAS RN: 220429-69-6
5-(2-Phenoxyphenyl)-2H-tetrazole
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-106042
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
220429-69-6 / 5-(2-phenoxyphenyl)-2H-tetrazole
Basic Information
CAS
220429-69-6
Multi CAS
No
Molecular Formula
C13H10N4O
Molecular Weight
238.240000
Exact Mass
238.085461
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2C3=NNN=N3
InChI
InChI=1S/C13H10N4O/c1-2-6-10(7-3-1)18-12-9-5-4-8-11(12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChIKey
GHCLLWCBVCNWTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.13
TPSA
63.69
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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