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CAS 28224-73-9 1,3:4,6-DI-O-BENZYLIDENE-D-MANNITOL molecular structure lightbox
CAS RN: 28224-73-9

1,3:4,6-DI-O-BENZYLIDENE-D-MANNITOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28224-73-9
  • Purity/Analytical Methods: >99.0%
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28224-73-9 / 4-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-2-phenyl-1,3-dioxan-5-ol

Standard CAS: 28224-73-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28224-73-9
Multi CAS
Yes
Molecular Formula
C20H22O6
Molecular Weight
358.400000
Exact Mass
358.141638
InChI
InChI=1S/C20H22O6/c21-15-11-23-19(13-7-3-1-4-8-13)25-17(15)18-16(22)12-24-20(26-18)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2
InChIKey
NVEGGHPETXMRSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.03
TPSA
77.38

LogP / Solubility

WLOGP
1.94
MLOGP
1.72
XLogP3
1.3
Consensus LogP
1.65
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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