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CAS 2450-31-9 Tetracosanedioic acid molecular structure lightbox
CAS RN: 2450-31-9

Tetracosanedioic acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 100g In stock Shanghai Inquiry
Batchno.20250924 1g In stock Shanghai Inquiry
Batchno.20251026 250mg In stock Shanghai Inquiry
Batchno.20250225 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250312 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS2450-31-9
  • Purity/Analytical Methods: >99.0%
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2450-31-9 / tetracosanedioic acid

Standard CAS: 2450-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2450-31-9
Multi CAS
No
Molecular Formula
C24H46O4
Molecular Weight
398.600000
Exact Mass
398.339610
SMILES
C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28)
InChIKey
QXGVRGZJILVMDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.92
Rotatable bonds
23
H-bond acceptors
2
H-bond donors
2
Molar refractivity
116.85
TPSA
74.6

LogP / Solubility

WLOGP
7.74
MLOGP
6.83
XLogP3
9.7
Consensus LogP
8.09
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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