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CAS 59282-55-2 Vitexin 2”-O-p-couMarate molecular structure lightbox
CAS RN: 59282-55-2

Vitexin 2”-O-p-couMarate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS59282-55-2
  • Purity/Analytical Methods: >99.0%
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59282-55-2 / [2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

Standard CAS: 59282-55-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59282-55-2
Multi CAS
Yes
Molecular Formula
C30H26O12
Molecular Weight
578.500000
Exact Mass
578.142426
InChI
InChI=1S/C30H26O12/c31-13-22-26(38)27(39)30(42-23(37)10-3-14-1-6-16(32)7-2-14)29(41-22)25-19(35)11-18(34)24-20(36)12-21(40-28(24)25)15-4-8-17(33)9-5-15/h1-12,22,26-27,29-35,38-39H,13H2/b10-3+/t22-,26-,27+,29+,30-/m1/s1
InChIKey
FJGOEBQRHWKKJH-HORBVDEJSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
22
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
7
Molar refractivity
146.65
TPSA
207.35

LogP / Solubility

WLOGP
2.06
MLOGP
1.86
XLogP3
2.5
Consensus LogP
2.14
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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