[email protected]
CAS 205505-62-0 5-methoxyjusticidin A molecular structure lightbox
CAS RN: 205505-62-0

5-methoxyjusticidin A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS205505-62-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

205505-62-0 / 9-(1,3-benzodioxol-4-yl)-4,5,6,7-tetramethoxy-3H-benzo[f][2]benzofuran-1-one

Standard CAS: 205505-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205505-62-0
Multi CAS
No
Molecular Formula
C23H20O8
Molecular Weight
424.400000
Exact Mass
424.115818
SMILES
COC1=C(C(=C2C(=C1)C(=C3C(=C2OC)COC3=O)C4=C5C(=CC=C4)OCO5)OC)OC
InChI
InChI=1S/C23H20O8/c1-25-15-8-12-16(11-6-5-7-14-19(11)31-10-30-14)17-13(9-29-23(17)24)20(26-2)18(12)22(28-4)21(15)27-3/h5-8H,9-10H2,1-4H3
InChIKey
GGTZHSHHPAQZRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
110.83
TPSA
81.68

LogP / Solubility

WLOGP
3.94
MLOGP
3.49
XLogP3
3.9
Consensus LogP
3.78
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us