CAS RN: 374795-35-4
1-Piperidinecarboxylic acid, 3-(2-hydroxyethyl)-3-(hydroxyMethyl)-, 1,1-diMethylethyl ester
- Product code: SSC-144840
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 | Beijing | Inquiry |
374795-35-4 / tert-butyl 3-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
Basic Information
CAS
374795-35-4
Multi CAS
No
Molecular Formula
C13H25NO4
Molecular Weight
259.340000
Exact Mass
259.178358
InChI
InChI=1S/C13H25NO4/c1-12(2,3)18-11(17)14-7-4-5-13(9-14,10-16)6-8-15/h15-16H,4-10H2,1-3H3
InChIKey
GVXVSBCHJWDURB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.26
TPSA
70
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-3.32
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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