![CAS 63449-37-6 ETHYL 4-[(2-ETHOXY-2-OXOETHYL)THIO]BUTANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63449-37-6.gif)
CAS RN: 63449-37-6
ETHYL 4-[(2-ETHOXY-2-OXOETHYL)THIO]BUTANOATE
- Product code: SSC-173129
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
63449-37-6 / ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylbutanoate
Basic Information
CAS
63449-37-6
Multi CAS
Yes
Molecular Formula
C10H18O4S
Molecular Weight
234.310000
Exact Mass
234.092580
InChI
InChI=1S/C10H18O4S/c1-3-13-9(11)6-5-7-15-8-10(12)14-4-2/h3-8H2,1-2H3
InChIKey
QAUACNHILIEKFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
59.83
TPSA
52.6
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
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)
-2.99
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
1.5
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