CAS RN: 1086380-54-2
1-(1,3-THIAZOL-2-YLMETHYL)PIPERIDINE-4-CARBOXYLIC ACID
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.20250611 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1086380-54-2
- Purity/Analytical Methods: >99.0%
1086380-54-2 / 1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxylic acid
1-(1,3-Thiazol-2-ylmethyl)piperidine-4-carboxylic acid | 1-(Thiazol-2-ylmethyl)piperidine-4-carboxylic acid | MFCD08235219
Basic Information
CAS
1086380-54-2
Multi CAS
No
Molecular Formula
C10H14N2O2S
Molecular Weight
226.300000
Exact Mass
226.077599
SMILES
C1CN(CCC1C(=O)O)CC2=NC=CS2
InChI
InChI=1S/C10H14N2O2S/c13-10(14)8-1-4-12(5-2-8)7-9-11-3-6-15-9/h3,6,8H,1-2,4-5,7H2,(H,13,14)
InChIKey
JLVSCRPAAJIAFR-UHFFFAOYSA-N
Synonyms
1-(1,3-Thiazol-2-ylmethyl)piperidine-4-carboxylic acid
1-(Thiazol-2-ylmethyl)piperidine-4-carboxylic acid
MFCD08235219
1-[(1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid
SBB053315
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.75
TPSA
53.43
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
-1.4
Consensus LogP
0.44
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
