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CAS 72036-50-1 2″-O-α-L-Rhamnopyranosyl-isovitexin molecular structure lightbox
CAS RN: 72036-50-1

2″-O-α-L-Rhamnopyranosyl-isovitexin

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 1mg Out of stock 30 business days Inquiry
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Batchno.20250303 1mg Out of stock Inquiry
  • Product code: starshine_CAS72036-50-1
  • Purity/Analytical Methods: >99.0%
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72036-50-1 / 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 72036-50-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72036-50-1
Multi CAS
Yes
Molecular Formula
C27H30O14
Molecular Weight
578.500000
Exact Mass
578.163556
InChI
InChI=1S/C27H30O14/c1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1
InChIKey
BGPMMCPSTAYIEL-UTKQBPCESA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
14
H-bond donors
9
Molar refractivity
136.86
TPSA
239.97

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.88
XLogP3
-0.9
Consensus LogP
-0.95
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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

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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