CAS RN: 1217046-73-5
N-Acetyl-4-aminobiphenyl-d5
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.20250831 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1217046-73-5
- Purity/Analytical Methods: >99.0%
1217046-73-5 / N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]acetamide
Basic Information
CAS
1217046-73-5
Multi CAS
No
Molecular Formula
C14H13NO
Molecular Weight
216.290000
Exact Mass
216.131098
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC=C(C=C2)NC(=O)C)[2H])[2H]
InChI
InChI=1S/C14H13NO/c1-11(16)15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)/i2D,3D,4D,5D,6D
InChIKey
SVLDILRDQOVJED-VIQYUKPQSA-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
66.18
TPSA
29.1
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3
Consensus LogP
3.08
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-1.66
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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