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CAS 263007-66-5 Buxifoliadine B molecular structure lightbox
CAS RN: 263007-66-5

Buxifoliadine B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS263007-66-5
  • Purity/Analytical Methods: >99.0%
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263007-66-5 / 1,5-dihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)-10H-acridin-9-one

Standard CAS: 263007-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263007-66-5
Multi CAS
No
Molecular Formula
C24H27NO4
Molecular Weight
393.500000
Exact Mass
393.194008
SMILES
CC(=CCC1=C2C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C3=C(N2)C(=CC=C3)O)C
InChI
InChI=1S/C24H27NO4/c1-13(2)9-11-16-21-19(22(27)15-7-6-8-18(26)20(15)25-21)23(28)17(24(16)29-5)12-10-14(3)4/h6-10,26,28H,11-12H2,1-5H3,(H,25,27)
InChIKey
WMXNOZZYTNVDSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
14
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
118.23
TPSA
82.55

LogP / Solubility

WLOGP
5.12
MLOGP
4.53
XLogP3
6.6
Consensus LogP
5.42
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
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)
-1.49

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

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