CAS RN: 27697-00-3
Mono-2-(methacryloyloxy)ethyl Phthalate (stabilized with MEHQ)
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTM2940
- Purity/Analytical Methods: >90.0%(T)
27697-00-3 / 4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
Basic Information
CAS
27697-00-3
Multi CAS
Yes
Molecular Formula
C14H14O6
Molecular Weight
278.260000
Exact Mass
278.079038
InChI
InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-5-3-10(4-6-11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
InChIKey
HQHKCNMTLZRXIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.46
TPSA
89.9
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
2.2
Consensus LogP
1.78
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 3637-26-1 3-[[2-(Methacryloyloxy)ethyl]dimethylammonio]propane-1-sulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1971-jpgcontextbwfzdgvyfhjvb3r8mjgxmjv8aw1hz2uvanblz3xonzuvaguzlzg5mze0otmzndczntgvtte5nzeuanbnfdhhnwm2nju4nduyn2i3zja3mmexmdbmmtmxyzdlzjayzgzhzgflnmjhyjmxndlkytk4mzy3ymzim2fmytc1ogq.jpeg)
