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CAS 2292-20-8 5,7,8,14-Tetrahydro-3,4,10,11-tetramethoxy-6-methyldibenz[c,g]azecin-13(6H)-one molecular structure lightbox
CAS RN: 2292-20-8

5,7,8,14-Tetrahydro-3,4,10,11-tetramethoxy-6-methyldibenz[c,g]azecin-13(6H)-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260101 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2292-20-8
  • Purity/Analytical Methods: >99.0%
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2292-20-8 / 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one

Standard CAS: 2292-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2292-20-8
Multi CAS
No
Molecular Formula
C22H27NO5
Molecular Weight
385.500000
Exact Mass
385.188923
SMILES
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3
InChIKey
HUIJAZQRYSCNED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
107.16
TPSA
57.23

LogP / Solubility

WLOGP
3.13
MLOGP
2.78
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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