CAS RN: 1241725-65-4
5-Fluoro-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
- Product code: SSC-028017
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1241725-65-4 / 1-O-tert-butyl 3-O-methyl 5-fluoropiperidine-1,3-dicarboxylate
Basic Information
CAS
1241725-65-4
Multi CAS
No
Molecular Formula
C12H20FNO4
Molecular Weight
261.290000
Exact Mass
261.137636
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)F)C(=O)OC
InChI
InChI=1S/C12H20FNO4/c1-12(2,3)18-11(16)14-6-8(10(15)17-4)5-9(13)7-14/h8-9H,5-7H2,1-4H3
InChIKey
XHPWIVCCDDYKRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.83
TPSA
55.84
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
1-tert-butyl 3-ethyl 5-fluoropiperidine-1,3-dicarboxylate
- CAS RN: 1241725-68-7
- Product Code: SSC-028018
-
(S)-1-BOc-2-isopropyl-piperazine hcl
- CAS RN: 1241725-73-4
- Product Code: starshine_CAS1241725-73-4
- Purity/Analytical method: >99.0%
-
4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine hydrochloride
- CAS RN: 1241725-84-7
- Product Code: SSC-028019
-
Bisindoylmaleimide X
- CAS RN: 1241725-89-2
- Product Code: starshine_CAS1241725-89-2
- Purity/Analytical method: >99.0%
-
5-bromo-2-chloro-3-ethoxypyridine
- CAS RN: 1241752-29-3
- Product Code: starshine_CAS1241752-29-3
- Purity/Analytical method: >99.0%
-
5-bromo-2-ethoxy-3-methoxypyridine
- CAS RN: 1241752-31-7
- Product Code: starshine_CAS1241752-31-7
- Purity/Analytical method: >99.0%
![CAS 1241725-84-7 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1241725-84-7.gif)
