CAS RN: 293751-01-6
3-O-Benzyl4-C-(methanesulfonyloxymethyl)-5-O-methanesulfonyl-1,2-O-isopropylidene-a-D-ribofuranose
- Product code: SSC-132077
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 | Shanghai | Inquiry |
293751-01-6 / [(3aR,6S,6aR)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl methanesulfonate
Basic Information
CAS
293751-01-6
Multi CAS
Yes
Molecular Formula
C18H26O10S2
Molecular Weight
466.500000
Exact Mass
466.096739
InChI
InChI=1S/C18H26O10S2/c1-17(2)26-14-15(23-10-13-8-6-5-7-9-13)18(28-16(14)27-17,11-24-29(3,19)20)12-25-30(4,21)22/h5-9,14-16H,10-12H2,1-4H3/t14-,15+,16+/m1/s1
InChIKey
REPCZRIZHPZZRA-PMPSAXMXSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
10
Molar refractivity
104.25
TPSA
123.66
LogP / Solubility
WLOGP
0.77
MLOGP
0.71
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-5.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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