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CAS 32602-81-6 Kaempferol 3-neohesperidoside molecular structure lightbox
CAS RN: 32602-81-6

Kaempferol 3-neohesperidoside

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8 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 25mg In stock Shanghai Inquiry
Batchno.20260309 5mg In stock Shanghai, Shandong Inquiry
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Batchno.20260628 10mg Out of stock Inquiry
Batchno.20251127 1mg Out of stock Inquiry
Batchno.20251108 25mg Out of stock Inquiry
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Batchno.20250217 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 20mg In stock Shanghai Inquiry
  • Product code: starshine_CAS32602-81-6
  • Purity/Analytical Methods: >99.0%
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32602-81-6 / 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 32602-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32602-81-6
Multi CAS
Yes
Molecular Formula
C27H30O15
Molecular Weight
594.500000
Exact Mass
594.158470
InChI
InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m0/s1
InChIKey
OHOBPOYHROOXEI-JWMUNMLDSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
9
Molar refractivity
138.53
TPSA
249.2

LogP / Solubility

WLOGP
-1.39
MLOGP
-1.18
XLogP3
-0.4
Consensus LogP
-0.99
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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)
-7.34

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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