CAS RN: 1246814-47-0
α-(Benzoylamino)benzeneacetamide-d10
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.20250501 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1246814-47-0
- Purity/Analytical Methods: >99.0%
1246814-47-0 / N-[2-amino-2-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)ethyl]-2,3,4,5,6-pentadeuteriobenzamide
Basic Information
CAS
1246814-47-0
Multi CAS
No
Molecular Formula
C15H14N2O2
Molecular Weight
264.340000
Exact Mass
264.168295
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C(=O)N)NC(=O)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C15H14N2O2/c16-14(18)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13H,(H2,16,18)(H,17,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
HAQWPUWMFUOREY-LHNTUAQVSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.29
TPSA
72.19
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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