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CAS 3637-16-9 5-Ketolauric acid molecular structure lightbox
CAS RN: 3637-16-9

5-Ketolauric acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3637-16-9
  • Purity/Analytical Methods: >99.0%
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3637-16-9 / 5-oxododecanoic acid

Standard CAS: 3637-16-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3637-16-9
Multi CAS
No
Molecular Formula
C12H22O3
Molecular Weight
214.300000
Exact Mass
214.156895
InChI
InChI=1S/C12H22O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h2-10H2,1H3,(H,14,15)
InChIKey
WTQMFERWXACENH-UHFFFAOYSA-N

Physical Properties

Physical Description
Waxy solid; Peaches and cream like aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.87
TPSA
54.37

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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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