CAS RN: 1246814-53-8
Nepafenac-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.20260113 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1246814-53-8
- Purity/Analytical Methods: >99.0%
1246814-53-8 / 2-[2-amino-3-(2,3,4,5,6-pentadeuteriobenzoyl)phenyl]acetamide
Basic Information
CAS
1246814-53-8
Multi CAS
No
Molecular Formula
C15H14N2O2
Molecular Weight
259.310000
Exact Mass
259.136911
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=CC=CC(=C2N)CC(=O)N)[2H])[2H]
InChI
InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)/i1D,2D,3D,5D,6D
InChIKey
QEFAQIPZVLVERP-XFEWCBMOSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.63
TPSA
86.18
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.9
Consensus LogP
1.59
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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