CAS RN: 889453-84-3
4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-β-D-glucopyranoside
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-200657
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 | Hong Kong | Inquiry |
889453-84-3 / 2-[(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
Basic Information
CAS
889453-84-3
Multi CAS
Yes
Molecular Formula
C31H29NO8
Molecular Weight
543.600000
Exact Mass
543.189317
InChI
InChI=1S/C31H29NO8/c1-3-17-36-27-25(32-28(33)22-11-7-8-12-23(22)29(32)34)31(38-21-15-13-20(35-2)14-16-21)39-24-18-37-30(40-26(24)27)19-9-5-4-6-10-19/h3-16,24-27,30-31H,1,17-18H2,2H3/t24-,25-,26-,27-,30?,31-/m1/s1
InChIKey
KDSWOYVINHSEOI-YLVCXTSJSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
142.96
TPSA
92.76
LogP / Solubility
WLOGP
4.15
MLOGP
3.69
XLogP3
4.2
Consensus LogP
4.01
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09
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
8.5
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