CAS RN: 138906-43-1
4-Methoxyphenyl 4,6-O-Benzylidene-2-deoxy-2-phthalimido-β-D-glucopyranoside
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-049046
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 | Shanghai | Inquiry |
138906-43-1 / 2-[(4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
Basic Information
CAS
138906-43-1
Multi CAS
No
Molecular Formula
C28H25NO8
Molecular Weight
503.500000
Exact Mass
503.158017
SMILES
COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)COC(O3)C4=CC=CC=C4)O)N5C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C28H25NO8/c1-33-17-11-13-18(14-12-17)35-28-22(29-25(31)19-9-5-6-10-20(19)26(29)32)23(30)24-21(36-28)15-34-27(37-24)16-7-3-2-4-8-16/h2-14,21-24,27-28,30H,15H2,1H3/t21-,22-,23-,24-,27?,28-/m1/s1
InChIKey
SHSWKRFHEJOKLK-XSVWMRDFSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
129.03
TPSA
103.76
LogP / Solubility
WLOGP
2.94
MLOGP
2.62
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
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)
-3.7
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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