CAS RN: 5502-94-3
12-METHYLTETRADECANOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5502-94-3
- Purity/Analytical Methods: >99.0%
5502-94-3 / 12-methyltetradecanoic acid
Basic Information
CAS
5502-94-3
Multi CAS
Yes
Molecular Formula
C15H30O2
Molecular Weight
242.400000
Exact Mass
242.224580
InChI
InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKey
XKLJLHAPJBUBNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.26
TPSA
37.3
LogP / Solubility
WLOGP
5.02
MLOGP
4.42
XLogP3
5.5
Consensus LogP
4.98
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.84
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)
-0.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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