CAS RN: 748113-39-5
5-(Methoxycarbonyl)piperidine-3-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.20250124 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS748113-39-5
- Purity/Analytical Methods: >99.0%
748113-39-5 / 5-methoxycarbonylpiperidine-3-carboxylic acid
Basic Information
CAS
748113-39-5
Multi CAS
Yes
Molecular Formula
C8H13NO4
Molecular Weight
187.190000
Exact Mass
187.084458
InChI
InChI=1S/C8H13NO4/c1-13-8(12)6-2-5(7(10)11)3-9-4-6/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKey
OGVLHCBDMWXAEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.12
TPSA
75.63
LogP / Solubility
WLOGP
-0.53
MLOGP
-0.47
XLogP3
-3
Consensus LogP
-1.33
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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