CAS RN: 303144-44-7
1-(2-Pyrimidinyl)piperidine-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-134409
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
303144-44-7 / 1-pyrimidin-2-ylpiperidine-4-carboxylic acid
Basic Information
CAS
303144-44-7
Multi CAS
No
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
InChI
InChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)
InChIKey
DYVXURZASBPYFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.6
TPSA
66.32
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.72
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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