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CAS 53430-50-5 Syringetin-3-O-rutinoside molecular structure lightbox
CAS RN: 53430-50-5

Syringetin-3-O-rutinoside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 1mg / 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 5mg Out of stock Inquiry
  • Product code: starshine_CAS53430-50-5
  • Purity/Analytical Methods: >99.0%
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53430-50-5 / 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

Standard CAS: 53430-50-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53430-50-5
Multi CAS
Yes
Molecular Formula
C29H34O17
Molecular Weight
654.600000
Exact Mass
654.179600
InChI
InChI=1S/C29H34O17/c1-9-18(32)22(36)24(38)28(43-9)42-8-16-20(34)23(37)25(39)29(45-16)46-27-21(35)17-12(31)6-11(30)7-13(17)44-26(27)10-4-14(40-2)19(33)15(5-10)41-3/h4-7,9,16,18,20,22-25,28-34,36-39H,8H2,1-3H3/t9-,16+,18-,20+,22+,23-,24+,25+,28+,29-/m0/s1
InChIKey
BWDMLCWSGGUHGK-MWLOISQDSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
9
Molar refractivity
151.64
TPSA
267.66

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.16
XLogP3
-1
Consensus LogP
-1.18
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-7.69

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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