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CAS RN: 331434-10-7
3-METHOXY-N-(4H-1,2,4-TRIAZOL-4-YL)BENZENECARBOXAMIDE
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.20250520 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS331434-10-7
- Purity/Analytical Methods: >99.0%
331434-10-7 / 3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
Basic Information
CAS
331434-10-7
Multi CAS
No
Molecular Formula
C10H10N4O2
Molecular Weight
218.210000
Exact Mass
218.080376
InChI
InChI=1S/C10H10N4O2/c1-16-9-4-2-3-8(5-9)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKey
XNNPAMYYLANKQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.71
TPSA
69.04
LogP / Solubility
WLOGP
0.67
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.57
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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