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CAS 58139-23-4 bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate molecular structure lightbox
CAS RN: 58139-23-4

bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 10mg Out of stock Inquiry
Batchno.20250522 1mg Out of stock Inquiry
Batchno.20250820 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS58139-23-4
  • Purity/Analytical Methods: >99.0%
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58139-23-4 / bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate

Standard CAS: 58139-23-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58139-23-4
Multi CAS
Yes
Molecular Formula
C34H46O17
Molecular Weight
726.700000
Exact Mass
726.273500
InChI
InChI=1S/C34H46O17/c1-17(2)11-34(45,33(44)47-16-19-5-9-21(10-6-19)49-32-30(43)28(41)26(39)23(14-36)51-32)12-24(37)46-15-18-3-7-20(8-4-18)48-31-29(42)27(40)25(38)22(13-35)50-31/h3-10,17,22-23,25-32,35-36,38-43,45H,11-16H2,1-2H3/t22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,34-/m1/s1
InChIKey
GQNUDXCKVPLQBI-KIQVUASESA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
15
H-bond acceptors
17
H-bond donors
9
Molar refractivity
170.29
TPSA
271.59

LogP / Solubility

WLOGP
-2
MLOGP
-1.7
XLogP3
-0.5
Consensus LogP
-1.4
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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