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CAS 36191-03-4 Pratensein 7-O-glucopyranoside molecular structure lightbox
CAS RN: 36191-03-4

Pratensein 7-O-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36191-03-4
  • Purity/Analytical Methods: >99.0%
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36191-03-4 / 5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 36191-03-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36191-03-4
Multi CAS
Yes
Molecular Formula
C22H22O11
Molecular Weight
462.400000
Exact Mass
462.116212
InChI
InChI=1S/C22H22O11/c1-30-14-3-2-9(4-12(14)24)11-8-31-15-6-10(5-13(25)17(15)18(11)26)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey
FGAAKLDKKBMYCB-RECXWPGBSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
112.2
TPSA
179.28

LogP / Solubility

WLOGP
0.06
MLOGP
0.08
XLogP3
0.8
Consensus LogP
0.31
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-5.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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