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CAS 14719-35-8 ETHYL 2-[(2-ETHOXY-2-OXOETHYL)SULFANYL]PROPANOATE(WXC08426) molecular structure lightbox
CAS RN: 14719-35-8

ETHYL 2-[(2-ETHOXY-2-OXOETHYL)SULFANYL]PROPANOATE(WXC08426)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14719-35-8
  • Purity/Analytical Methods: >99.0%
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14719-35-8 / ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylpropanoate

Standard CAS: 14719-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14719-35-8
Multi CAS
No
Molecular Formula
C9H16O4S
Molecular Weight
220.290000
Exact Mass
220.076930
SMILES
CCOC(=O)CSC(C)C(=O)OCC
InChI
InChI=1S/C9H16O4S/c1-4-12-8(10)6-14-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3
InChIKey
BNZQBQIWVDXJOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
55.19
TPSA
52.6

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.9
Consensus LogP
1.41
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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