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CAS 28383-41-7 7-Neohesperidosides molecular structure lightbox
CAS RN: 28383-41-7

7-Neohesperidosides

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28383-41-7
  • Purity/Analytical Methods: >99.0%
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28383-41-7 / (2R,3R)-7-[(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-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Standard CAS: 28383-41-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28383-41-7
Multi CAS
Yes
Molecular Formula
C28H34O16
Molecular Weight
626.600000
Exact Mass
626.184685
InChI
InChI=1S/C28H34O16/c1-9-18(32)21(35)24(38)27(40-9)44-26-22(36)19(33)16(8-29)43-28(26)41-11-6-13(31)17-15(7-11)42-25(23(37)20(17)34)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23-,24+,25+,26+,27-,28+/m0/s1
InChIKey
OWOPLXKZQIHNFD-KURXTFFSSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
16
H-bond donors
9
Molar refractivity
142.09
TPSA
254.52

LogP / Solubility

WLOGP
-2.19
MLOGP
-1.87
XLogP3
-1.1
Consensus LogP
-1.72
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-8.09

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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