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CAS 83170-31-4 Kaempferol 3-O-rhamninoside molecular structure lightbox
CAS RN: 83170-31-4

Kaempferol 3-O-rhamninoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS83170-31-4
  • Purity/Analytical Methods: >99.0%
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83170-31-4 / 3-[6-[[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 83170-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83170-31-4
Multi CAS
Yes
Molecular Formula
C33H40O19
Molecular Weight
740.700000
Exact Mass
740.216379
InChI
InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
InChIKey
UYVBMGULWGRDQT-KABOUGNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
19
H-bond donors
11
Molar refractivity
169.75
TPSA
308.12

LogP / Solubility

WLOGP
-2.54
MLOGP
-2.17
XLogP3
-2
Consensus LogP
-2.24
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-9.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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