CAS RN: 24173-43-1
5-Methyl-2-(p-tolylamino)benzoic 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.20250314 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTM3165
- Purity/Analytical Methods: >98.0%(T)(HPLC)
24173-43-1 / 5-methyl-2-(4-methylanilino)benzoic acid
Basic Information
CAS
24173-43-1
Multi CAS
No
Molecular Formula
C15H15NO2
Molecular Weight
241.280000
Exact Mass
241.110279
SMILES
CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C)C(=O)O
InChI
InChI=1S/C15H15NO2/c1-10-3-6-12(7-4-10)16-14-8-5-11(2)9-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKey
JRRSLUSVHFALSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.6
TPSA
49.33
LogP / Solubility
WLOGP
3.75
MLOGP
3.3
XLogP3
5.1
Consensus LogP
4.05
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
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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