CAS RN: 67905-41-3
CYCLOHEXANE DIMETHANOL DIACRYLATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS67905-41-3
- Purity/Analytical Methods: >99.0%
67905-41-3 / [4-(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
Basic Information
CAS
67905-41-3
Multi CAS
Yes
Molecular Formula
C14H20O4
Molecular Weight
252.310000
Exact Mass
252.136159
InChI
InChI=1S/C14H20O4/c1-3-13(15)17-9-11-5-7-12(8-6-11)10-18-14(16)4-2/h3-4,11-12H,1-2,5-10H2
InChIKey
KUIDSTKCJKFHLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
67.76
TPSA
52.6
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
2.9
Consensus LogP
2.38
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 67914-61-8 cis-1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67914-61-8.gif)
