[email protected]
CAS 263007-65-4 Buxifoliadine A molecular structure lightbox
CAS RN: 263007-65-4

Buxifoliadine 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.20260125 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS263007-65-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

263007-65-4 / 1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one

Standard CAS: 263007-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263007-65-4
Multi CAS
No
Molecular Formula
C25H29NO4
Molecular Weight
407.500000
Exact Mass
407.209658
SMILES
CC(=CCC1=C2C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C3=C(N2C)C(=CC=C3)O)C
InChI
InChI=1S/C25H29NO4/c1-14(2)10-12-17-22-20(24(29)18(25(17)30-6)13-11-15(3)4)23(28)16-8-7-9-19(27)21(16)26(22)5/h7-11,27,29H,12-13H2,1-6H3
InChIKey
XCHVRLXEQIEULZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
122.85
TPSA
71.69

LogP / Solubility

WLOGP
5.13
MLOGP
4.54
XLogP3
6.8
Consensus LogP
5.49
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us