CAS RN: 1094227-86-7
ETHYL 2-(CYCLOPENTYLAMINO)BENZOATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1094227-86-7
- Purity/Analytical Methods: >99.0%
1094227-86-7 / ethyl 2-(cyclopentylamino)benzoate
ETHYL 2-(CYCLOPENTYLAMINO)BENZOATE | SCHEMBL16060183 | HZUAYVUWIJJXNX-UHFFFAOYSA-N
Basic Information
CAS
1094227-86-7
Multi CAS
No
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
SMILES
CCOC(=O)C1=CC=CC=C1NC2CCCC2
InChI
InChI=1S/C14H19NO2/c1-2-17-14(16)12-9-5-6-10-13(12)15-11-7-3-4-8-11/h5-6,9-11,15H,2-4,7-8H2,1H3
InChIKey
HZUAYVUWIJJXNX-UHFFFAOYSA-N
Synonyms
ETHYL 2-(CYCLOPENTYLAMINO)BENZOATE
SCHEMBL16060183
HZUAYVUWIJJXNX-UHFFFAOYSA-N
N-cyclopentylanthranilic ethyl ester
AKOS005876648
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.28
TPSA
38.33
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.9
Consensus LogP
3.32
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-1.86
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
-
-
-
Englerin A
- CAS RN: 1094250-15-3
- Product Code: starshine_CAS1094250-15-3
- Purity/Analytical method: >99.0%
-
1,2,4-Triazolo[4,3-c]pyrimidine, 7-chloro-3-ethyl-
- CAS RN: 1094260-61-3
- Product Code: starshine_CAS1094260-61-3
- Purity/Analytical method: >99.0%
-
1,3,4,6-Tetra-O-acetyl-N-azidoacetylmannosamine
- CAS RN: 1094268-54-8
- Product Code: starshine_CAS1094268-54-8
- Purity/Analytical method: >99.0%
-
Benzene, 1-(1-bromoethyl)-2-(difluoromethoxy)-
- CAS RN: 1094272-74-8
- Product Code: starshine_CAS1094272-74-8
- Purity/Analytical method: >99.0%
![CAS 1094260-61-3 1,2,4-Triazolo[4,3-c]pyrimidine, 7-chloro-3-ethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094260-61-3.gif)
