CAS RN: 85577-28-2
Zomepirac Sodium Salt-d4
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.20250430 | 2.5mg / 5mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS85577-28-2
- Purity/Analytical Methods: >99.0%
85577-28-2 / sodium 2-[5-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate
Basic Information
CAS
85577-28-2
Multi CAS
No
Molecular Formula
C15H13CLNNAO3
Molecular Weight
317.730000
Exact Mass
317.073272
InChI
InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1/i3D,4D,5D,6D;
InChIKey
SEEXPXUCHVGZGU-HGSONKNXSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
73.75
TPSA
62.13
LogP / Solubility
WLOGP
-1.49
MLOGP
-1.29
XLogP3
-1.49
Consensus LogP
-1.42
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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