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CAS 28233-35-4 Atalaphylline molecular structure lightbox
CAS RN: 28233-35-4

Atalaphylline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS28233-35-4
  • Purity/Analytical Methods: >99.0%
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28233-35-4 / 1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)-10H-acridin-9-one

Standard CAS: 28233-35-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28233-35-4
Multi CAS
No
Molecular Formula
C23H25NO4
Molecular Weight
379.400000
Exact Mass
379.178358
InChI
InChI=1S/C23H25NO4/c1-12(2)8-10-15-20-18(23(28)16(21(15)26)11-9-13(3)4)22(27)14-6-5-7-17(25)19(14)24-20/h5-9,25-26,28H,10-11H2,1-4H3,(H,24,27)
InChIKey
GLXYKTASIIUSRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
113.34
TPSA
93.55

LogP / Solubility

WLOGP
4.82
MLOGP
4.26
XLogP3
6.3
Consensus LogP
5.13
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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