CAS RN: 1359656-87-3
Methyl 5,5-difluoro-3-piperidinecarboxylate hydrochloride
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.20260622 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1359656-87-3
- Purity/Analytical Methods: >99.0%
1359656-87-3 / methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride
Basic Information
CAS
1359656-87-3
Multi CAS
No
Molecular Formula
C7H12ClF2NO2
Molecular Weight
215.620000
Exact Mass
215.052463
SMILES
COC(=O)C1CC(CNC1)(F)F.Cl
InChI
InChI=1S/C7H11F2NO2.ClH/c1-12-6(11)5-2-7(8,9)4-10-3-5;/h5,10H,2-4H2,1H3;1H
InChIKey
VADFVHAAPLASEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.19
TPSA
38.33
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1359657-01-4 IMidazo[1,2-a]pyridine-3-carboxylic acid, 6-Methyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359657-01-4.gif)
![CAS 1359657-11-6 IMidazo[1,2-a]pyridine-3-carboxylic acid, 6-(trifluoroMethyl)-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1359657-11-6.gif)
