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CAS 59154-43-7 DODECANOIC-D23 ACID molecular structure lightbox
CAS RN: 59154-43-7

DODECANOIC-D23 ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251117 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59154-43-7
  • Purity/Analytical Methods: >99.0%
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59154-43-7 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acid

Standard CAS: 59154-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59154-43-7
Multi CAS
Yes
Molecular Formula
C12H24O2
Molecular Weight
223.460000
Exact Mass
223.321995
InChI
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
InChIKey
POULHZVOKOAJMA-SJTGVFOPSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.48
TPSA
37.3

LogP / Solubility

WLOGP
3.99
MLOGP
3.51
XLogP3
4.2
Consensus LogP
3.9
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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