![CAS 716361-79-4 “1-[(4-Methoxyphenyl)Methyl]-1H-1,2,3-triazole-4-carboxylic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/716361-79-4.gif)
CAS RN: 716361-79-4
“1-[(4-Methoxyphenyl)Methyl]-1H-1,2,3-triazole-4-carboxylic acid”
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.20260205 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS716361-79-4
- Purity/Analytical Methods: >99.0%
716361-79-4 / 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
Basic Information
CAS
716361-79-4
Multi CAS
No
Molecular Formula
C11H11N3O3
Molecular Weight
233.220000
Exact Mass
233.080041
InChI
InChI=1S/C11H11N3O3/c1-17-9-4-2-8(3-5-9)6-14-7-10(11(15)16)12-13-14/h2-5,7H,6H2,1H3,(H,15,16)
InChIKey
WOVCZGZVFJWZBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.08
TPSA
77.24
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.41
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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