CAS RN: 584-70-3
BENZO-O-TOLUIDIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS584-70-3
- Purity/Analytical Methods: >99.0%
584-70-3 / N-(2-methylphenyl)benzamide
Basic Information
CAS
584-70-3
Multi CAS
Yes
Molecular Formula
C14H13NO
Molecular Weight
211.260000
Exact Mass
211.099714
InChI
InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)15-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)
InChIKey
BSASAHDKONAXQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.57
TPSA
29.1
LogP / Solubility
WLOGP
3.25
MLOGP
2.86
XLogP3
2.7
Consensus LogP
2.94
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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