![CAS 1403232-33-6 4-Piperidinecarboxylic acid, 1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-[(2-methoxyethoxy)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403232-33-6.gif)
CAS RN: 1403232-33-6
4-Piperidinecarboxylic acid, 1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-[(2-methoxyethoxy)methyl]-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: starshine_CAS1403232-33-6
- Purity/Analytical Methods: >99.0%
1403232-33-6 / 1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-(2-methoxyethoxymethyl)piperidine-4-carboxylic acid
Basic Information
CAS
1403232-33-6
Multi CAS
No
Molecular Formula
C29H36ClN3O5
Molecular Weight
542.100000
Exact Mass
541.234349
SMILES
CC(C)CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)CN4CCC(CC4)(COCCOC)C(=O)O)Cl
InChI
InChI=1S/C29H36ClN3O5/c1-20(2)16-23-8-9-24(17-25(23)30)27-31-26(32-38-27)22-6-4-21(5-7-22)18-33-12-10-29(11-13-33,28(34)35)19-37-15-14-36-3/h4-9,17,20H,10-16,18-19H2,1-3H3,(H,34,35)
InChIKey
LIVCREVOSRJFDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
17
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
1
Molar refractivity
146
TPSA
97.92
LogP / Solubility
WLOGP
5.59
MLOGP
4.96
XLogP3
2.8
Consensus LogP
4.45
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
1-(4-aminopyridin-2-yl)azetidin-3-ol
- CAS RN: 1403248-75-8
- Product Code: starshine_CAS1403248-75-8
- Purity/Analytical method: >99.0%
-
-
Benzoic acid, 5-broMo-2-Methyl-3-[(tetrahydro-2H-pyran-4-yl)aMino]-, Methyl ester
- CAS RN: 1403257-49-7
- Product Code: SSC-050877
-
Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl-, Methyl ester
- CAS RN: 1403257-79-3
- Product Code: SSC-050878
-
Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl-
- CAS RN: 1403257-81-7
- Product Code: SSC-050879
-
cis-3-Aminocyclohexanecarbonitrile hydrochloride
- CAS RN: 1403323-06-7
- Product Code: SSC-050880
![CAS 1403257-49-7 Benzoic acid, 5-broMo-2-Methyl-3-[(tetrahydro-2H-pyran-4-yl)aMino]-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403257-49-7.gif)
![CAS 1403257-79-3 Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403257-79-3.gif)
![CAS 1403257-81-7 Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403257-81-7.gif)
