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CAS 135432-48-3 Liquiritigenin-7-O-apiosyl(1-2)-glucoside molecular structure lightbox
CAS RN: 135432-48-3

Liquiritigenin-7-O-apiosyl(1-2)-glucoside

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251102 20mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 10mg In stock Shanghai Inquiry
Batchno.20251217 1mg In stock Shanghai Inquiry
Batchno.20260317 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS135432-48-3
  • Purity/Analytical Methods: >99.0%
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135432-48-3 / (2S)-7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Standard CAS: 135432-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135432-48-3
Multi CAS
No
Molecular Formula
C26H30O13
Molecular Weight
550.500000
Exact Mass
550.168641
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-5-6-15-16(30)8-17(37-18(15)7-14)12-1-3-13(29)4-2-12/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1
InChIKey
NLALNSGFXCKLLY-DWMQJYMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
7
Molar refractivity
127.91
TPSA
204.83

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.06
XLogP3
-0.8
Consensus LogP
-1.04
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-6.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

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