CAS RN: 835-38-1
Ethanone, 1-(2-aminophenyl)-2-phenyl-
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.20250606 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS835-38-1
- Purity/Analytical Methods: >99.0%
835-38-1 / 1-(2-aminophenyl)-2-phenylethanone
Basic Information
CAS
835-38-1
Multi CAS
Yes
Molecular Formula
C14H13NO
Molecular Weight
211.260000
Exact Mass
211.099714
InChI
InChI=1S/C14H13NO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10,15H2
InChIKey
SHCZEDMZASVGHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.33
TPSA
43.09
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
3.2
Consensus LogP
2.75
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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