CAS RN: 32083-61-7
3-ETHOXY-2-(2-NAPHTHYLSULFONYL)ACRYLONITRILE
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.20250217 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS32083-61-7
- Purity/Analytical Methods: >99.0%
32083-61-7 / (E)-3-ethoxy-2-naphthalen-2-ylsulfonylprop-2-enenitrile
Basic Information
CAS
32083-61-7
Multi CAS
Yes
Molecular Formula
C15H13NO3S
Molecular Weight
287.300000
Exact Mass
287.061614
InChI
InChI=1S/C15H13NO3S/c1-2-19-11-15(10-16)20(17,18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,2H2,1H3/b15-11+
InChIKey
DARPYRSDRJYGIF-RVDMUPIBSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
76.46
TPSA
67.16
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.8
Consensus LogP
2.82
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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
1.5
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