CAS RN: 923145-19-1
1-(4-METHOXYPYRIMIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID
- Product code: SSC-205901
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 |
923145-19-1 / 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
Basic Information
CAS
923145-19-1
Multi CAS
No
Molecular Formula
C11H15N3O3
Molecular Weight
237.250000
Exact Mass
237.111341
InChI
InChI=1S/C11H15N3O3/c1-17-9-2-5-12-11(13-9)14-6-3-8(4-7-14)10(15)16/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)
InChIKey
COAOFDCPJULLEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.16
TPSA
75.55
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
1
Consensus LogP
0.83
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
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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