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CAS 34981-25-4 Kuraridine molecular structure lightbox
CAS RN: 34981-25-4

Kuraridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250501 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34981-25-4
  • Purity/Analytical Methods: >99.0%
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34981-25-4 / (E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

Standard CAS: 34981-25-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34981-25-4
Multi CAS
Yes
Molecular Formula
C26H30O6
Molecular Weight
438.500000
Exact Mass
438.204239
InChI
InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+/t18-/m1/s1
InChIKey
PIAPWPAWQGDOMN-SXAWMYDMSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
125.52
TPSA
107.22

LogP / Solubility

WLOGP
5.5
MLOGP
4.87
XLogP3
6.5
Consensus LogP
5.62
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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