CAS RN: 71233-25-5
3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester
- Product code: SSC-180886
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, 5g, 10g, 100g, 25g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 3 In Stock | Beijing | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
| 500g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1000g | >97% | 1 In Stock | Hong Kong | Inquiry |
71233-25-5 / 1-O-tert-butyl 4-O-ethyl 3-oxopiperidine-1,4-dicarboxylate
Basic Information
CAS
71233-25-5
Multi CAS
Yes
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey
WCTXJAXKORIYNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.55
TPSA
72.91
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
1-tert-butyl 4-methyl 1,2,3,4-tetrahydropyridine-1,4-dicarboxylate
- CAS RN: 71233-30-2
- Product Code: SSC-180888
-
-
Octenidine
- CAS RN: 71251-02-0
- Product Code: starshine_CAS71251-02-0
- Purity/Analytical method: >99.0%
-
7-METHOXY-1,1-DIOXO-1,4-DIHYDRO-2H-1LAMBDA6-BENZO[1,2,4]THIADIAZIN-3-ONE
- CAS RN: 71254-67-6
- Product Code: SSC-180900
-
-
![CAS 71254-67-6 7-METHOXY-1,1-DIOXO-1,4-DIHYDRO-2H-1LAMBDA6-BENZO[1,2,4]THIADIAZIN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71254-67-6.gif)
