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CAS 75587-06-3 Ethyl 5-hydroxydecanoate molecular structure lightbox
CAS RN: 75587-06-3

Ethyl 5-hydroxydecanoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS75587-06-3
  • Purity/Analytical Methods: >99.0%
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75587-06-3 / ethyl 5-hydroxydecanoate

Standard CAS: 75587-06-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
75587-06-3
Multi CAS
No
Molecular Formula
C12H24O3
Molecular Weight
216.320000
Exact Mass
216.172545
InChI
InChI=1S/C12H24O3/c1-3-5-6-8-11(13)9-7-10-12(14)15-4-2/h11,13H,3-10H2,1-2H3
InChIKey
JZHPHZPSKLWKPM-UHFFFAOYSA-N

Physical Properties

Density
0.945-0.956 (20°)
Physical Description
Colourless clear liquid; Sweet fatty peach-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.63
TPSA
46.53

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
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)
-2.15

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
2

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