CAS RN: 1151516-14-1
RDEA-594 sodiuM
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250217 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1151516-14-1
- Purity/Analytical Methods: >99.0%
1151516-14-1 / sodium 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Lesinurad sodium | RDEA-594 sodium | RDEA 594 sodium
Basic Information
CAS
1151516-14-1
Multi CAS
Yes
Molecular Formula
C17H13BrN3NaO2S
Molecular Weight
426.300000
Exact Mass
424.980950
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)[O-].[Na+]
InChI
InChI=1S/C17H14BrN3O2S.Na/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14;/h1-4,7-8,10H,5-6,9H2,(H,22,23);/q;+1/p-1
InChIKey
FVYMVLTWIBGEMC-UHFFFAOYSA-M
Synonyms
Lesinurad sodium
RDEA-594 sodium
RDEA 594 sodium
RDEA594 SODIUM
Lesinurad sodium [USAN]
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
94.27
TPSA
70.84
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.06
XLogP3
-0.09
Consensus LogP
-0.08
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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