CAS RN: 2102410-60-4
Trans-benzyl 4-(cyclopropylamino)-3-fluoropiperidine-1-carboxylate(WXFC0205)
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.20250711 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2102410-60-4
- Purity/Analytical Methods: >99.0%
2102410-60-4 / benzyl (3S,4S)-4-(cyclopropylamino)-3-fluoropiperidine-1-carboxylate
Basic Information
CAS
2102410-60-4
Multi CAS
No
Molecular Formula
C16H21FN2O2
Molecular Weight
292.350000
Exact Mass
292.158706
SMILES
C1CN(C[C@@H]([C@H]1NC2CC2)F)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H21FN2O2/c17-14-10-19(9-8-15(14)18-13-6-7-13)16(20)21-11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2/t14-,15-/m0/s1
InChIKey
MXXHIMMQMBVVGB-GJZGRUSLSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.66
TPSA
41.57
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.4
Consensus LogP
2.36
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
(3S,4R)-3-fluoro-1,4-bipiperidine(WXFC0196)
- CAS RN: 2102410-81-9
- Product Code: starshine_CAS2102410-81-9
- Purity/Analytical method: >99.0%
-
(3R)-4-FLUORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE
- CAS RN: 2102410-88-6
- Product Code: starshine_CAS2102410-88-6
- Purity/Analytical method: >99.0%
-
(R)-2-AMINO-3-(4-FLUOROPHENYL)PROPAN-1-OL HYDROCHLORIDE
- CAS RN: 2102410-90-0
- Product Code: starshine_CAS2102410-90-0
- Purity/Analytical method: >99.0%
-
-
5-bromo-6-methyl-1-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
- CAS RN: 2102411-35-6
- Product Code: SSC-100035
-
![CAS 2102410-88-6 (3R)-4-FLUORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102410-88-6.png)
![CAS 2102411-35-6 5-bromo-6-methyl-1-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102411-35-6.png)
