CAS RN: 93761-42-3
3,5-dimethyldodecanoic 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.20260621 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS93761-42-3
- Purity/Analytical Methods: >99.0%
93761-42-3 / 3,5-dimethyldodecanoic acid
Basic Information
CAS
93761-42-3
Multi CAS
No
Molecular Formula
C14H28O2
Molecular Weight
228.370000
Exact Mass
228.208930
InChI
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKey
BJCDOTOCKDZJAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.57
TPSA
37.3
LogP / Solubility
WLOGP
4.48
MLOGP
3.95
XLogP3
5.6
Consensus LogP
4.68
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
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)
-0.93
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
2.5
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