![CAS 1018125-61-5 7-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1018125-61-5.gif)
CAS RN: 1018125-61-5
7-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1018125-61-5
- Purity/Analytical Methods: >99.0%
1018125-61-5 / 7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
7-(p-Tolyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid | 7-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid | MFCD07380395
Basic Information
CAS
1018125-61-5
Multi CAS
No
Molecular Formula
C13H10N4O2
Molecular Weight
254.240000
Exact Mass
254.080376
SMILES
CC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)C(=O)O
InChI
InChI=1S/C13H10N4O2/c1-8-2-4-9(5-3-8)10-6-7-14-13-15-11(12(18)19)16-17(10)13/h2-7H,1H3,(H,18,19)
InChIKey
FANUHTHOFQXEBM-UHFFFAOYSA-N
Synonyms
7-(p-Tolyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
7-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
MFCD07380395
7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SBB025377
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.91
TPSA
80.38
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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