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CAS 287111-20-0 MYRISTIC-1,2-13C2 ACID molecular structure lightbox
CAS RN: 287111-20-0

MYRISTIC-1,2-13C2 ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS287111-20-0
  • Purity/Analytical Methods: >99.0%
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287111-20-0 / (1,2-13C2)tetradecanoic acid

Standard CAS: 287111-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
287111-20-0
Multi CAS
No
Molecular Formula
C14H28O2
Molecular Weight
230.360000
Exact Mass
230.215640
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i13+1,14+1
InChIKey
TUNFSRHWOTWDNC-SBAVNFSASA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.71
TPSA
37.3

LogP / Solubility

WLOGP
4.77
MLOGP
4.2
XLogP3
5.3
Consensus LogP
4.76
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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