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CAS 531-28-2 androsin molecular structure lightbox
CAS RN: 531-28-2

androsin

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 1mg Out of stock Inquiry
Batchno.20250910 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
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  • Product code: starshine_CAS531-28-2
  • Purity/Analytical Methods: >99.0%
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531-28-2 / 1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Standard CAS: 531-28-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-28-2
Multi CAS
Yes
Molecular Formula
C15H20O8
Molecular Weight
328.310000
Exact Mass
328.115818
InChI
InChI=1S/C15H20O8/c1-7(17)8-3-4-9(10(5-8)21-2)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
QUOZWMJFTQUXON-UXXRCYHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
77.39
TPSA
125.68

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.8
XLogP3
-1.4
Consensus LogP
-1.04
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-5.38

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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