CAS RN: 5965-63-9
2-Hexylcyclopropane-1-decanoic acid methyl ester
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.20260320 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5965-63-9
- Purity/Analytical Methods: >99.0%
5965-63-9 / methyl 10-(2-hexylcyclopropyl)decanoate
Basic Information
CAS
5965-63-9
Multi CAS
Yes
Molecular Formula
C20H38O2
Molecular Weight
310.500000
Exact Mass
310.287180
InChI
InChI=1S/C20H38O2/c1-3-4-5-11-14-18-17-19(18)15-12-9-7-6-8-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3
InChIKey
HASAQWANQLNRRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
93.93
TPSA
26.3
LogP / Solubility
WLOGP
6.28
MLOGP
5.54
XLogP3
8.3
Consensus LogP
6.71
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
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)
-0.16
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
3.5
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