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CAS 1303438-51-8 Cathayanon H molecular structure lightbox
CAS RN: 1303438-51-8

Cathayanon H

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1303438-51-8
  • Purity/Analytical Methods: >99.0%
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1303438-51-8 / (2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one

Standard CAS: 1303438-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1303438-51-8
Multi CAS
No
Molecular Formula
C25H28O6
Molecular Weight
424.500000
Exact Mass
424.188589
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)C
InChI
InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(10-16(22(15)28)8-6-14(3)4)25-24(30)23(29)21-19(27)11-18(26)12-20(21)31-25/h5-6,9-12,24-28,30H,7-8H2,1-4H3/t24-,25+/m0/s1
InChIKey
HWOOKQWPXZROBV-LOSJGSFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
117.85
TPSA
107.22

LogP / Solubility

WLOGP
4.5
MLOGP
3.99
XLogP3
5.7
Consensus LogP
4.73
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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)
-2.12

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
3.5

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