![CAS 815593-60-3 4-piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/815593-60-3.gif)
CAS RN: 815593-60-3
4-piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
- Product code: SSC-189956
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
815593-60-3 / 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
Basic Information
CAS
815593-60-3
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
InChI
InChI=1S/C13H23NO4/c1-9(11(15)16)10-5-7-14(8-6-10)12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKey
FZNNOLMIECALJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.33
TPSA
66.84
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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