![CAS 1071129-26-4 Cyclopropanecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071129-26-4.gif)
CAS RN: 1071129-26-4
Cyclopropanecarboxylic acid, 2-[4-(dimethylamino)phenyl]-, ethyl ester
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1071129-26-4
- Purity/Analytical Methods: >99.0%
1071129-26-4 / ethyl 2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxylate
Ethyl 2-(4-(dimethylamino)phenyl)cyclopropane-1-carboxylate | ethyl 2-(4-(dimethylamino)phenyl)cyclopropanecarboxylate | ethyl 2-[4-(dimethylamino)phenyl]cyclopropanecarboxylate
Basic Information
CAS
1071129-26-4
Multi CAS
No
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
SMILES
CCOC(=O)C1CC1C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H19NO2/c1-4-17-14(16)13-9-12(13)10-5-7-11(8-6-10)15(2)3/h5-8,12-13H,4,9H2,1-3H3
InChIKey
OEVIFWQPSJCRKT-UHFFFAOYSA-N
Synonyms
Ethyl 2-(4-(dimethylamino)phenyl)cyclopropane-1-carboxylate
ethyl 2-(4-(dimethylamino)phenyl)cyclopropanecarboxylate
ethyl 2-[4-(dimethylamino)phenyl]cyclopropanecarboxylate
starbld0010612
BS-47137
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
68.25
TPSA
29.54
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
3-methoxyquinolin-8-amine
- CAS RN: 1071218-86-4
- Product Code: starshine_CAS1071218-86-4
- Purity/Analytical method: >99.0%
-
Neuraminic acid,N-acetyl-2-S-(4-methylphenyl)-2-thio-,menthyl ester, 4,7,8,9-tetraacetate
- CAS RN: 1071226-27-1
- Product Code: starshine_CAS1071226-27-1
- Purity/Analytical method: >99.0%
-
“4′-([2,2′:6′,2″”-terpyridin]-4′-yl)-[1,1′-biphenyl]-4-amine”
- CAS RN: 1071227-10-5
- Product Code: starshine_CAS1071227-10-5
- Purity/Analytical method: >99.0%
-
![CAS 1071227-10-5 “4′-([2,2′:6′,2″”-terpyridin]-4′-yl)-[1,1′-biphenyl]-4-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071227-10-5.gif)
