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CAS 874303-34-1 Millewanin H molecular structure lightbox
CAS RN: 874303-34-1

Millewanin H

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS874303-34-1
  • Purity/Analytical Methods: >99.0%
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874303-34-1 / 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 874303-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874303-34-1
Multi CAS
Yes
Molecular Formula
C25H26O7
Molecular Weight
438.500000
Exact Mass
438.167853
InChI
InChI=1S/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)25-21(23(15)30)24(31)17(11-32-25)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
InChIKey
RZHIZFURFGRHHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
5
Molar refractivity
122.24
TPSA
131.36

LogP / Solubility

WLOGP
4.27
MLOGP
3.79
XLogP3
5.1
Consensus LogP
4.39
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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