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CAS 151890-26-5 6-methoxydihydrosanguinarine molecular structure lightbox
CAS RN: 151890-26-5

6-methoxydihydrosanguinarine

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 1mg Out of stock Inquiry
Batchno.20260518 25mg Out of stock Inquiry
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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS151890-26-5
  • Purity/Analytical Methods: >99.0%
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151890-26-5 / 11-methoxy-12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene

Standard CAS: 151890-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151890-26-5
Multi CAS
No
Molecular Formula
C21H17NO5
Molecular Weight
363.400000
Exact Mass
363.110673
SMILES
CN1C(C2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OCO3)OC
InChI
InChI=1S/C21H17NO5/c1-22-20-12(4-3-11-5-16-17(6-13(11)20)25-9-24-16)14-7-18-19(27-10-26-18)8-15(14)21(22)23-2/h3-8,21H,9-10H2,1-2H3
InChIKey
ZXAGLUIVEUDJAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
99.78
TPSA
49.39

LogP / Solubility

WLOGP
4.06
MLOGP
3.59
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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