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CAS 84812-00-0 1,2-DINMETHOXY-PHENYL 4-O-BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 84812-00-0

1,2-DINMETHOXY-PHENYL 4-O-BETA-D-GLUCOPYRANOSIDE

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 1mg Out of stock Inquiry
Batchno.20260329 5mg Out of stock Inquiry
  • Product code: starshine_CAS84812-00-0
  • Purity/Analytical Methods: >99.0%
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84812-00-0 / (2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 84812-00-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84812-00-0
Multi CAS
Yes
Molecular Formula
C14H20O8
Molecular Weight
316.300000
Exact Mass
316.115818
InChI
InChI=1S/C14H20O8/c1-19-8-4-3-7(5-9(8)20-2)21-14-13(18)12(17)11(16)10(6-15)22-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
ZDLZDPFUIWTENT-RKQHYHRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
73.94
TPSA
117.84

LogP / Solubility

WLOGP
-1.12
MLOGP
-0.97
XLogP3
-0.5
Consensus LogP
-0.86
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-5.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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