![CAS 299203-94-4 2-(4-([(TERT-BUTOXY)CARBONYL]AMINO)PIPERIDIN-1-YL)ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299203-94-4.png)
CAS RN: 299203-94-4
2-(4-([(TERT-BUTOXY)CARBONYL]AMINO)PIPERIDIN-1-YL)ACETIC ACID
- Product code: SSC-133292
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: 1g
- Available purity: >95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
299203-94-4 / 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
Basic Information
CAS
299203-94-4
Multi CAS
Yes
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKey
JLDQVJCRBZXIOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.47
TPSA
78.87
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
-1.2
Consensus LogP
0.27
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 299405-26-8 [4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299405-26-8.png)
