CAS RN: 909772-87-8
diethyl 2-((2-ethoxy-2-oxoethyl)thio)succinate(WXC08444)
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.20260407 | 100mg / 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS909772-87-8
- Purity/Analytical Methods: >99.0%
909772-87-8 / diethyl 2-(2-ethoxy-2-oxoethyl)sulfanylbutanedioate
Basic Information
CAS
909772-87-8
Multi CAS
No
Molecular Formula
C12H20O6S
Molecular Weight
292.350000
Exact Mass
292.098060
InChI
InChI=1S/C12H20O6S/c1-4-16-10(13)7-9(12(15)18-6-3)19-8-11(14)17-5-2/h9H,4-8H2,1-3H3
InChIKey
QDVIJRDWNYKBRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
70.76
TPSA
78.9
LogP / Solubility
WLOGP
1.17
MLOGP
1.04
XLogP3
1.7
Consensus LogP
1.3
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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