CAS RN: 151607-71-5
(1-Trityl-1H-1,2,4-triazol-3-yl)methanol
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.20250228 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS151607-71-5
- Purity/Analytical Methods: >99.0%
151607-71-5 / (1-trityl-1,2,4-triazol-3-yl)methanol
Basic Information
CAS
151607-71-5
Multi CAS
No
Molecular Formula
C22H19N3O
Molecular Weight
341.400000
Exact Mass
341.152812
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC(=N4)CO
InChI
InChI=1S/C22H19N3O/c26-16-21-23-17-25(24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,26H,16H2
InChIKey
VCIHOFOPRYYZRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
23
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.55
TPSA
50.94
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
3.9
Consensus LogP
3.57
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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