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CAS 28541-75-5 4-Methoxyphenyl α-D-Mannopyranoside molecular structure lightbox
CAS RN: 28541-75-5

4-Methoxyphenyl α-D-Mannopyranoside

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250626 1g In stock Shanghai Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
  • Product code: ICTM1646
  • Purity/Analytical Methods: >98.0%(HPLC)
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28541-75-5 / 2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol

Standard CAS: 28541-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28541-75-5
Multi CAS
Yes
Molecular Formula
C13H18O7
Molecular Weight
286.280000
Exact Mass
286.105253
InChI
InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3
InChIKey
SIXFVXJMCGPTRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
67.39
TPSA
108.61

LogP / Solubility

WLOGP
-1.13
MLOGP
-0.98
XLogP3
-0.7
Consensus LogP
-0.94
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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