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CAS 263007-67-6 Buxifoliadine C molecular structure lightbox
CAS RN: 263007-67-6

Buxifoliadine C

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS263007-67-6
  • Purity/Analytical Methods: >99.0%
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263007-67-6 / 1,5-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)-10H-acridin-9-one

Standard CAS: 263007-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263007-67-6
Multi CAS
No
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(N2)C(=CC=C3)O)OC)C
InChI
InChI=1S/C19H19NO4/c1-10(2)7-8-11-15(24-3)9-13-16(18(11)22)19(23)12-5-4-6-14(21)17(12)20-13/h4-7,9,21-22H,8H2,1-3H3,(H,20,23)
InChIKey
LIBMMBBIHSDVBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
95.09
TPSA
82.55

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
4.7
Consensus LogP
3.83
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.14

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

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