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CAS 1883-13-2 3-HYDROXYDODECANOIC ACID molecular structure lightbox
CAS RN: 1883-13-2

3-HYDROXYDODECANOIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 20mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS1883-13-2
  • Purity/Analytical Methods: >99.0%
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1883-13-2 / 3-hydroxydodecanoic acid

Standard CAS: 1883-13-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1883-13-2
Multi CAS
No
Molecular Formula
C12H24O3
Molecular Weight
216.320000
Exact Mass
216.172545
SMILES
CCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChIKey
MUCMKTPAZLSKTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.87
TPSA
57.53

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
3.6
Consensus LogP
3.06
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.73
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)
-1.94

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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