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CAS 82475-01-2 Oroxylin A 7-O-beta-D-glucuronide methyl ester molecular structure lightbox
CAS RN: 82475-01-2

Oroxylin A 7-O-beta-D-glucuronide methyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS82475-01-2
  • Purity/Analytical Methods: >99.0%
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82475-01-2 / methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylate

Standard CAS: 82475-01-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82475-01-2
Multi CAS
Yes
Molecular Formula
C23H22O11
Molecular Weight
474.400000
Exact Mass
474.116212
InChI
InChI=1S/C23H22O11/c1-30-19-14(33-23-18(28)16(26)17(27)21(34-23)22(29)31-2)9-12(25)15-11(24)8-13(32-20(15)19)10-6-4-3-5-7-10/h3-9,16-18,21,23,25-28H,1-2H3/t16-,17-,18+,21-,23+/m0/s1
InChIKey
RLTZGPOFLCHNNX-USFRMQJTSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
4
Molar refractivity
115.46
TPSA
165.12

LogP / Solubility

WLOGP
0.53
MLOGP
0.5
XLogP3
1.8
Consensus LogP
0.94
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-5.24

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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