CAS RN: 80035-33-2
Benzyl 2-Deoxy-2-phthalimido-4,6-O-benzylidene–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.20260309 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80035-33-2
- Purity/Analytical Methods: >99.0%
80035-33-2 / 2-[(2R,4aR,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
Basic Information
CAS
80035-33-2
Multi CAS
Yes
Molecular Formula
C28H25NO7
Molecular Weight
487.500000
Exact Mass
487.163102
InChI
InChI=1S/C28H25NO7/c30-23-22(29-25(31)19-13-7-8-14-20(19)26(29)32)28(33-15-17-9-3-1-4-10-17)35-21-16-34-27(36-24(21)23)18-11-5-2-6-12-18/h1-14,21-24,27-28,30H,15-16H2/t21-,22-,23-,24-,27?,28-/m1/s1
InChIKey
XUBZHIFTRFYZLL-XSVWMRDFSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.64
TPSA
94.53
LogP / Solubility
WLOGP
3.07
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.83
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.52
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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