![CAS 745836-21-9 ANTI-2-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/745836-21-9.gif)
CAS RN: 745836-21-9
ANTI-2-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLIC ACID ETHYL 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.20250819 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS745836-21-9
- Purity/Analytical Methods: >99.0%
745836-21-9 / ethyl (1R,4S,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
Basic Information
CAS
745836-21-9
Multi CAS
Yes
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
InChI
InChI=1S/C9H15NO2/c1-2-12-9(11)8-6-3-4-7(8)10-5-6/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKey
KRURNZGDUICNNP-BWZBUEFSSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.64
TPSA
38.33
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 746543-82-8 1-OXA-4,8-DIAZASPIRO[4.5]DECAN-3-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
(4-bromophenyl)(piperidin-4-yl)methanone
- CAS RN: 746550-66-3
- Product Code: starshine_CAS746550-66-3
- Purity/Analytical method: >99.0%
-
3-(3-Hydroxy-piperidin-1-yl)-1-phenyl-propan-1-one, 98+% C14H19NO2, MW: 233.31
- CAS RN: 746589-13-9
- Product Code: starshine_CAS746589-13-9
- Purity/Analytical method: >99.0%
-
4-CHLORO-N-(4-METHYLCYCLOHEXYL)-3-NITROBENZENESULFONAMIDE
- CAS RN: 746607-43-2
- Product Code: SSC-184105
-
2-[4-(DIMETHYLAMINO)-3-NITROBENZOYL]BENZOIC ACID
- CAS RN: 746608-53-7
- Product Code: SSC-184107
-
Ethanone, 1-(4-amino-2,6-difluorophenyl)- (9CI)
- CAS RN: 746630-18-2
- Product Code: SSC-184111
![CAS 746543-82-8 1-OXA-4,8-DIAZASPIRO[4.5]DECAN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/746543-82-8.gif)
![CAS 746608-53-7 2-[4-(DIMETHYLAMINO)-3-NITROBENZOYL]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0163129.gif)
