[email protected]
CAS 36948-76-2 Oroxylin A-7-O-beta-D-glucuronide, Analytical reference molecular structure lightbox
CAS RN: 36948-76-2

Oroxylin A-7-O-beta-D-glucuronide, Analytical reference

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 5mg / 20mg Confirm by inquiry Shanghai Inquiry
  • Product code: LINO889677
GET A QUOTE

36948-76-2 / (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid

Standard CAS: 36948-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36948-76-2
Multi CAS
Yes
Molecular Formula
C22H20O11
Molecular Weight
460.400000
Exact Mass
460.100561
InChI
InChI=1S/C22H20O11/c1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/t16-,17-,18+,20-,22+/m0/s1
InChIKey
QXIPXNZUEQYPLZ-QSUZLTIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
111.08
TPSA
176.12

LogP / Solubility

WLOGP
0.45
MLOGP
0.42
XLogP3
1.4
Consensus LogP
0.76
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-5.21

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us