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CAS 5834-63-9 1,8,15,22-tetrazacyclooctacosane-2,9,16,23-tetrone molecular structure lightbox
CAS RN: 5834-63-9

1,8,15,22-tetrazacyclooctacosane-2,9,16,23-tetrone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS5834-63-9
  • Purity/Analytical Methods: >99.0%
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5834-63-9 / 1,8,15,22-tetrazacyclooctacosane-2,9,16,23-tetrone

Standard CAS: 5834-63-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5834-63-9
Multi CAS
Yes
Molecular Formula
C24H44N4O4
Molecular Weight
452.600000
Exact Mass
452.336256
InChI
InChI=1S/C24H44N4O4/c29-21-13-5-1-9-17-25-22(30)14-6-2-11-19-27-24(32)16-8-4-12-20-28-23(31)15-7-3-10-18-26-21/h1-20H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)
InChIKey
LAIGWNLGTIDKPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.83
H-bond acceptors
4
H-bond donors
4
Molar refractivity
125.91
TPSA
116.4

LogP / Solubility

WLOGP
2.71
MLOGP
2.41
XLogP3
1.3
Consensus LogP
2.14
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.56

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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