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CAS 63422-27-5 6-Methoxykaempferol 3-O-glucoside molecular structure lightbox
CAS RN: 63422-27-5

6-Methoxykaempferol 3-O-glucoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS63422-27-5
  • Purity/Analytical Methods: >99.0%
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63422-27-5 / 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 63422-27-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63422-27-5
Multi CAS
Yes
Molecular Formula
C22H22O12
Molecular Weight
478.400000
Exact Mass
478.111126
InChI
InChI=1S/C22H22O12/c1-31-20-10(25)6-11-13(15(20)27)16(28)21(19(32-11)8-2-4-9(24)5-3-8)34-22-18(30)17(29)14(26)12(7-23)33-22/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3/t12-,14-,17+,18-,22+/m1/s1
InChIKey
PMKDGKVUENNUGX-OOVDEOTFSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
7
Molar refractivity
113.86
TPSA
199.51

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.17
XLogP3
0.7
Consensus LogP
0.1
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-5.81

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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