CAS RN: 292053-42-0
CCI 006)
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250804 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS292053-42-0
- Purity/Analytical Methods: >99.0%
292053-42-0 / methyl 2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
Basic Information
CAS
292053-42-0
Multi CAS
Yes
Molecular Formula
C15H12N2O5S
Molecular Weight
332.300000
Exact Mass
332.046693
InChI
InChI=1S/C15H12N2O5S/c1-21-15(18)11(9-16)8-12-4-7-14(22-12)10-2-5-13(6-3-10)23(17,19)20/h2-8H,1H3,(H2,17,19,20)
InChIKey
VEXAKEBSBMAIOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
81.12
TPSA
123.39
LogP / Solubility
WLOGP
1.67
MLOGP
1.49
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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