![CAS 56687-67-3 2-[(2-Pentylcyclopropyl)methyl]cyclopropaneoctanoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56687-67-3.gif)
CAS RN: 56687-67-3
2-[(2-Pentylcyclopropyl)methyl]cyclopropaneoctanoic 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.20260117 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS56687-67-3
- Purity/Analytical Methods: >99.0%
56687-67-3 / methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate
Basic Information
CAS
56687-67-3
Multi CAS
No
Molecular Formula
C21H38O2
Molecular Weight
322.500000
Exact Mass
322.287180
InChI
InChI=1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3
InChIKey
WSVAMWHCPDAWFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
96.29
TPSA
26.3
LogP / Solubility
WLOGP
6.13
MLOGP
5.41
XLogP3
8
Consensus LogP
6.51
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
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)
-0.33
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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