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CAS 5561-87-5 3-HYDROXYDECANOIC ACID molecular structure lightbox
CAS RN: 5561-87-5

3-HYDROXYDECANOIC ACID

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 100mg In stock Inquiry
Batchno.20250405 25mg In stock Inquiry
Batchno.20250605 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS5561-87-5
  • Purity/Analytical Methods: >99.0%
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5561-87-5 / 3-hydroxydecanoic acid

Standard CAS: 5561-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5561-87-5
Multi CAS
No
Molecular Formula
C10H20O3
Molecular Weight
188.260000
Exact Mass
188.141245
InChI
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKey
FYSSBMZUBSBFJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.64
TPSA
57.53

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.5
Consensus LogP
2.2
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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