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CAS 548-30-1 13-Methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine-14(13H)-one molecular structure lightbox
CAS RN: 548-30-1

13-Methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine-14(13H)-one

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260527 10mg Out of stock Inquiry
Batchno.20251113 1mg Out of stock Inquiry
Batchno.20250902 25mg Out of stock Inquiry
Batchno.20250217 5mg Out of stock Inquiry
  • Product code: starshine_CAS548-30-1
  • Purity/Analytical Methods: >99.0%
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548-30-1 / 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-one

Standard CAS: 548-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
548-30-1
Multi CAS
No
Molecular Formula
C20H13NO5
Molecular Weight
347.300000
Exact Mass
347.079373
InChI
InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3
InChIKey
UFHGABBBZRPRJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.15
H-bond acceptors
6
Molar refractivity
96.45
TPSA
58.92

LogP / Solubility

WLOGP
3.3
MLOGP
2.92
XLogP3
3.5
Consensus LogP
3.24
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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