CAS RN: 64490-92-2
Sodium tolmetin dihydrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 100mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS64490-92-2
- Purity/Analytical Methods: >99.0%
64490-92-2 / sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate;dihydrate
Basic Information
CAS
64490-92-2
Multi CAS
Yes
Molecular Formula
C15H18NNAO5
Molecular Weight
315.300000
Exact Mass
315.108267
InChI
InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1
InChIKey
QQILXENAYPUNEA-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.96
TPSA
125.13
LogP / Solubility
WLOGP
-3.79
MLOGP
-3.32
XLogP3
-3.79
Consensus LogP
-3.63
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
0.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.95
Class (SILICOS-IT)
Highly 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)
-7.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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