CAS RN: 1255666-29-5
1-BOC-2-(Methoxycarbonyl)piperidin-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.20250426 | 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1255666-29-5
- Purity/Analytical Methods: >99.0%
1255666-29-5 / 2-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Basic Information
CAS
1255666-29-5
Multi CAS
No
Molecular Formula
C13H21NO6
Molecular Weight
287.310000
Exact Mass
287.136887
SMILES
CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)C(=O)O
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-6-5-8(10(15)16)7-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKey
VPZOZPSOJLQFGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.1
TPSA
93.14
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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