CAS RN: 28399-31-7
DCP-LA
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 10mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS28399-31-7
- Purity/Analytical Methods: >99.0%
28399-31-7 / 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoic acid
Basic Information
CAS
28399-31-7
Multi CAS
Yes
Molecular Formula
C20H36O2
Molecular Weight
308.500000
Exact Mass
308.271530
InChI
InChI=1S/C20H36O2/c1-2-3-7-10-16-13-18(16)15-19-14-17(19)11-8-5-4-6-9-12-20(21)22/h16-19H,2-15H2,1H3,(H,21,22)
InChIKey
CONYTTFKIUJZOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.91
TPSA
37.3
LogP / Solubility
WLOGP
6.04
MLOGP
5.33
XLogP3
7.7
Consensus LogP
6.36
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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