CAS RN: 28386-90-5
1-benzyl-5-phenyltetrazole
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS28386-90-5
- Purity/Analytical Methods: >99.0%
28386-90-5 / 1-benzyl-5-phenyltetrazole
Basic Information
CAS
28386-90-5
Multi CAS
No
Molecular Formula
C14H12N4
Molecular Weight
236.270000
Exact Mass
236.106196
InChI
InChI=1S/C14H12N4/c1-3-7-12(8-4-1)11-18-14(15-16-17-18)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
YTRHEDWQEBRFOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
68.8
TPSA
43.6
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.47
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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