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CAS 676-00-6 10-Oxoundecanoic acid molecular structure lightbox
CAS RN: 676-00-6

10-Oxoundecanoic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS676-00-6
  • Purity/Analytical Methods: >99.0%
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676-00-6 / 10-oxoundecanoic acid

Standard CAS: 676-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676-00-6
Multi CAS
Yes
Molecular Formula
C11H20O3
Molecular Weight
200.270000
Exact Mass
200.141245
InChI
InChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKey
UKHMENMPHVRROO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.25
TPSA
54.37

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.97

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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