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CAS 34316-15-9 Chelerythrine molecular structure lightbox
CAS RN: 34316-15-9

Chelerythrine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260701 1g Out of stock Inquiry
Batchno.20260525 250mg In stock Tianjin, Wuhan Inquiry
Batchno.20251214 25mg In stock Shanghai Inquiry
Batchno.20250521 50mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS34316-15-9
  • Purity/Analytical Methods: >99.0%
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34316-15-9 / 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium

Standard CAS: 34316-15-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34316-15-9
Multi CAS
Yes
Molecular Formula
C21H18NO4
Molecular Weight
348.400000
Exact Mass
348.123583
InChI
InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
InChIKey
LLEJIEBFSOEYIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
99.36
TPSA
40.8

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
4.6
Consensus LogP
3.87
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.21

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
3.5

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