![CAS 63225-53-6 2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ACRYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63225-53-6.gif)
CAS RN: 63225-53-6
2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ACRYLATE
Product Availability
Available package options are listed below.
3 package records3 with current stock
- Product code: starshine_CAS63225-53-6
- Purity/Analytical Methods: >99.0%
63225-53-6 / 2-(butylcarbamoyloxy)ethyl prop-2-enoate
Basic Information
CAS
63225-53-6
Multi CAS
Yes
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
InChI
InChI=1S/C10H17NO4/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)
InChIKey
FLKHVLRENDBIDB-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.41
TPSA
64.63
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.7
Consensus LogP
1.34
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-3.15
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
1.5
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