CAS RN: 72738-09-1
ethyl 3-oxopiperidine-4-carboxylate hydrochloride
- Product code: SSC-182212
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 10g, 5g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | -- | 3 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | >95% | 0 Out of Stock | Shanghai | Inquiry |
72738-09-1 / ethyl 3-oxopiperidine-4-carboxylate;hydrochloride
Basic Information
CAS
72738-09-1
Multi CAS
Yes
Molecular Formula
C8H14CLNO3
Molecular Weight
207.650000
Exact Mass
207.066221
InChI
InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-3-4-9-5-7(6)10;/h6,9H,2-5H2,1H3;1H
InChIKey
VMVUBCKFICINHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.86
TPSA
55.4
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
0.15
Consensus LogP
0.14
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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