CAS RN: 6279-47-6
ETHYL 2,6-DIMETHYLPHENOXYACETATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS6279-47-6
- Purity/Analytical Methods: >99.0%
6279-47-6 / ethyl 2-(2,6-dimethylphenoxy)acetate
Basic Information
CAS
6279-47-6
Multi CAS
Yes
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-4-14-11(13)8-15-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3
InChIKey
QXQQEZSRMZQLEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
58.04
TPSA
35.53
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.9
Consensus LogP
2.38
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE
- CAS RN: 6279-89-6
- Product Code: starshine_CAS6279-89-6
- Purity/Analytical method: >99.0%
-
-
Propanoic acid,3-chloro-, phenylmethyl ester
- CAS RN: 6282-07-1
- Product Code: starshine_CAS6282-07-1
- Purity/Analytical method: >99.0%
-
-
4-[(4-chlorophenyl)methyl]benzene-1,3-diol
- CAS RN: 6280-43-9
- Product Code: starshine_CAS6280-43-9
- Purity/Analytical method: >99.0%
![CAS 6280-43-9 4-[(4-chlorophenyl)methyl]benzene-1,3-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6280-43-9.gif)