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CAS 55287-49-5 Benzyl 2-acetamido-3,6-di-O-benzyl-2-deoxy-alpha-D-glucopyranoside molecular structure lightbox
CAS RN: 55287-49-5

Benzyl 2-acetamido-3,6-di-O-benzyl-2-deoxy-alpha-D-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: LINB888645
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55287-49-5 / N-[(2S,3R,4R,5S,6R)-5-hydroxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

Standard CAS: 55287-49-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55287-49-5
Multi CAS
Yes
Molecular Formula
C29H33NO6
Molecular Weight
491.600000
Exact Mass
491.230788
InChI
InChI=1S/C29H33NO6/c1-21(31)30-26-28(34-18-23-13-7-3-8-14-23)27(32)25(20-33-17-22-11-5-2-6-12-22)36-29(26)35-19-24-15-9-4-10-16-24/h2-16,25-29,32H,17-20H2,1H3,(H,30,31)/t25-,26-,27-,28-,29+/m1/s1
InChIKey
JUMIDJUZUBPQHV-JPHCZMGXSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
134.62
TPSA
86.25

LogP / Solubility

WLOGP
3.6
MLOGP
3.2
XLogP3
3
Consensus LogP
3.27
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble

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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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