CAS RN: 1352792-74-5
Verinurad
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6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 100mg | Out of stock | Inquiry | |
| Batchno.20260526 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260508 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260116 | 250mg | Out of stock | Inquiry | |
| Batchno.20250911 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250219 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1352792-74-5
- Purity/Analytical Methods: >99.0%
1352792-74-5 / 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
Basic Information
CAS
1352792-74-5
Multi CAS
No
Molecular Formula
C20H16N2O2S
Molecular Weight
348.400000
Exact Mass
348.093249
SMILES
CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#N
InChI
InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)
InChIKey
YYBOLPLTQDKXPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.47
TPSA
73.98
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.1
Consensus LogP
4.34
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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