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CAS 6014-62-6 4,6,7,14-Tetrahydro-12-methoxy-5-methylbis[1,3]benzodioxolo[4,5-c:5′,6′-g]azecin-13(5H)-one molecular structure lightbox
CAS RN: 6014-62-6

4,6,7,14-Tetrahydro-12-methoxy-5-methylbis[1,3]benzodioxolo[4,5-c:5′,6′-g]azecin-13(5H)-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS6014-62-6
  • Purity/Analytical Methods: >99.0%
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6014-62-6 / 5-methoxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one

Standard CAS: 6014-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6014-62-6
Multi CAS
Yes
Molecular Formula
C21H21NO6
Molecular Weight
383.400000
Exact Mass
383.136887
InChI
InChI=1S/C21H21NO6/c1-22-6-5-13-8-17-20(28-11-26-17)21(24-2)18(13)15(23)7-12-3-4-16-19(14(12)9-22)27-10-25-16/h3-4,8H,5-7,9-11H2,1-2H3
InChIKey
SWBXJEKOHMOEFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
99.75
TPSA
66.46

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
2.8
Consensus LogP
2.55
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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