CAS RN: 26961-99-9
Benzoic acid,4-(acetylmethylamino)-
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.20251203 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26961-99-9
- Purity/Analytical Methods: >99.0%
26961-99-9 / 4-[acetyl(methyl)amino]benzoic acid
Basic Information
CAS
26961-99-9
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
CC(=O)N(C)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
WPHGIIWEXHFKHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.49
TPSA
57.61
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
0.5
Consensus LogP
1.02
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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