CAS RN: 63302-64-7
2-ethylhexyl cyclohex-3-ene-1-carboxylate
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.20250912 | 5g / 25g / 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63302-64-7
- Purity/Analytical Methods: >99.0%
63302-64-7 / 2-ethylhexyl cyclohex-3-ene-1-carboxylate
Basic Information
CAS
63302-64-7
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
InChI
InChI=1S/C15H26O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-7,13-14H,3-5,8-12H2,1-2H3
InChIKey
OOBVOBFENTULJB-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
70.75
TPSA
26.3
LogP / Solubility
WLOGP
4.1
MLOGP
3.61
XLogP3
4.7
Consensus LogP
4.14
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
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)
-1.26
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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