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CAS 80443-15-8 7-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-Methoxyphenyl)- molecular structure lightbox
CAS RN: 80443-15-8

7-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-Methoxyphenyl)-

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 10mg In stock Shanghai Inquiry
Batchno.20260314 1mg In stock Shanghai Inquiry
Batchno.20250317 25mg Out of stock Inquiry
Batchno.20260623 50mg Out of stock Inquiry
Batchno.20260131 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS80443-15-8
  • Purity/Analytical Methods: >99.0%
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80443-15-8 / 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 80443-15-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80443-15-8
Multi CAS
Yes
Molecular Formula
C22H22O10
Molecular Weight
446.400000
Exact Mass
446.121297
InChI
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3
InChIKey
NLZCOTZRUWYPTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
110.53
TPSA
159.05

LogP / Solubility

WLOGP
0.35
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.33
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-5.19

Drug-likeness / Medicinal Chemistry

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

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