[email protected]
CAS 149155-01-1 Cratoxylone molecular structure lightbox
CAS RN: 149155-01-1

Cratoxylone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250301 5mg Out of stock Inquiry
  • Product code: starshine_CAS149155-01-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

149155-01-1 / 1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one

Standard CAS: 149155-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149155-01-1
Multi CAS
No
Molecular Formula
C24H28O7
Molecular Weight
428.500000
Exact Mass
428.183503
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
InChI
InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
InChIKey
JSXIWUDODLMCGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
14
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
119.29
TPSA
120.36

LogP / Solubility

WLOGP
4.28
MLOGP
3.8
XLogP3
4.9
Consensus LogP
4.33
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-2.29

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

Customers Also Viewed

Get In Touch

Contact Us