![CAS 1440754-07-3 1-Piperidinecarboxylic acid, 4-[1-(2-phenyl-1H-benziMidazol-1-yl)-2-[4-[1-(phenylMethyl)-1H-benziMidazol-2-yl]phenoxy]ethyl]-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1440754-07-3.gif)
CAS RN: 1440754-07-3
1-Piperidinecarboxylic acid, 4-[1-(2-phenyl-1H-benziMidazol-1-yl)-2-[4-[1-(phenylMethyl)-1H-benziMidazol-2-yl]phenoxy]ethyl]-, 1,1-diMethylethyl ester
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.20250909 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1440754-07-3
- Purity/Analytical Methods: >99.0%
1440754-07-3 / tert-butyl 4-[2-[4-(1-benzylbenzimidazol-2-yl)phenoxy]-1-(2-phenylbenzimidazol-1-yl)ethyl]piperidine-1-carboxylate
Basic Information
CAS
1440754-07-3
Multi CAS
No
Molecular Formula
C45H45N5O3
Molecular Weight
703.900000
Exact Mass
703.352240
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8
InChI
InChI=1S/C45H45N5O3/c1-45(2,3)53-44(51)48-28-26-33(27-29-48)41(50-40-21-13-11-19-38(40)47-43(50)34-16-8-5-9-17-34)31-52-36-24-22-35(23-25-36)42-46-37-18-10-12-20-39(37)49(42)30-32-14-6-4-7-15-32/h4-25,33,41H,26-31H2,1-3H3
InChIKey
ZYHLHQNDSDWXSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
36
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
210.94
TPSA
74.41
LogP / Solubility
WLOGP
10.04
MLOGP
8.89
XLogP3
9.1
Consensus LogP
9.34
Log S (ESOL)
-10.44
Class (ESOL)
Insoluble
Log S (Ali)
-12.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.11
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
Deltarasin
- CAS RN: 1440898-61-2
- Product Code: starshine_CAS1440898-61-2
- Purity/Analytical method: >99.0%
-
1-(5-methyl-1,2,4-oxadiazol-3-yl)piperazine hydrochloride
- CAS RN: 1440955-11-2
- Product Code: starshine_CAS1440955-11-2
- Purity/Analytical method: >99.0%
-
![CAS 1440960-67-7 2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-forMyl-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1440960-67-7(2).gif)
2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-forMyl-, 1,1-diMethylethyl ester
- CAS RN: 1440960-67-7
- Product Code: SSC-055342
-
.gif)
Citalopram impurity 9/Citalopram EP Impurity C Oxalate Salt/3-Oxo Citalopram Oxalate Salt/Citalopram Related Compound C Oxalate Salt/3-(3-Dimethylaminopropyl)-3-(4-fluorophenyl)-6-cyano-1(3H)-isobenzofuranone oxalate
- CAS RN: 1440961-11-4
- Product Code: starshine_CAS1440961-11-4
- Purity/Analytical method: >99.0%
-
![CAS 1440962-10-6 7oxaspiro[3.5]nonan2ylMethanaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1440962-10-6(2).gif)
-
![CAS 1440962-12-8 8,11-dioxadispiro[3.2.47.24]tridecan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1440962-12-8.gif)