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CAS 62774-16-7 Benzyl 3-O-Benzyl-4,6-O-benzylidene-a-D-mannopyranoside molecular structure lightbox
CAS RN: 62774-16-7

Benzyl 3-O-Benzyl-4,6-O-benzylidene-a-D-mannopyranoside

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS62774-16-7
  • Purity/Analytical Methods: >99.0%
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62774-16-7 / 2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Standard CAS: 62774-16-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62774-16-7
Multi CAS
Yes
Molecular Formula
C27H28O6
Molecular Weight
448.500000
Exact Mass
448.188589
InChI
InChI=1S/C27H28O6/c28-23-25(29-16-19-10-4-1-5-11-19)24-22(18-31-26(33-24)21-14-8-3-9-15-21)32-27(23)30-17-20-12-6-2-7-13-20/h1-15,22-28H,16-18H2
InChIKey
FCENHFYMICMPTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
120.93
TPSA
66.38

LogP / Solubility

WLOGP
3.99
MLOGP
3.54
XLogP3
3.4
Consensus LogP
3.64
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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