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CAS 134859-96-4 6”-O-ACETYLGLYCITIN molecular structure lightbox
CAS RN: 134859-96-4

6”-O-ACETYLGLYCITIN

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260601 1mg / 5mg Out of stock 15 business days Inquiry
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Batchno.20250419 10mg In stock Shanghai Inquiry
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Batchno.20250919 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS134859-96-4
  • Purity/Analytical Methods: >99.0%
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134859-96-4 / [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

Standard CAS: 134859-96-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
134859-96-4
Multi CAS
No
Molecular Formula
C24H24O11
Molecular Weight
488.400000
Exact Mass
488.131862
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O
InChI
InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey
DUBPGEJGGVZKDD-PFKOEMKTSA-N

Physical Properties

Melting Point
155 - 157 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
4
Molar refractivity
120.08
TPSA
165.12

LogP / Solubility

WLOGP
0.92
MLOGP
0.85
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-5.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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