CAS RN: 879551-01-6
(4S,5R)-ethyl 5-((R)-2,2-diMethyl-1,3-dioxolan-4-yl)-4-Methyl-1,3,2-dioxathiolane-4-carboxylate 2,2-dioxide
- Product code: SSC-198346
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
879551-01-6 / ethyl (4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
Basic Information
CAS
879551-01-6
Multi CAS
Yes
Molecular Formula
C11H18O8S
Molecular Weight
310.320000
Exact Mass
310.072239
InChI
InChI=1S/C11H18O8S/c1-5-15-9(12)11(4)8(18-20(13,14)19-11)7-6-16-10(2,3)17-7/h7-8H,5-6H2,1-4H3/t7-,8-,11+/m1/s1
InChIKey
UYMLTUZYEYHYHO-XLDPMVHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
64.82
TPSA
97.36
LogP / Solubility
WLOGP
0.12
MLOGP
0.12
XLogP3
0.3
Consensus LogP
0.18
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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