CAS RN: 174543-82-9
Methyl 1-Cbz-3-Methylpiperidine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-076564
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: 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
174543-82-9 / 1-O-benzyl 3-O-methyl 3-methylpiperidine-1,3-dicarboxylate
Basic Information
CAS
174543-82-9
Multi CAS
No
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
SMILES
CC1(CCCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C16H21NO4/c1-16(14(18)20-2)9-6-10-17(12-16)15(19)21-11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKey
OBQNDANRDMXAIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
77.56
TPSA
55.84
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.3
Consensus LogP
2.4
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 174561-04-7 [1-(4-Fluoro-benzyl)-piperidin-4-yl]-methanol molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[1-(4-Fluoro-benzyl)-piperidin-4-yl]-methanol
- CAS RN: 174561-04-7
- Product Code: starshine_CAS174561-04-7
- Purity/Analytical method: >99.0%
-
-
-
-
-
![CAS 174561-04-7 [1-(4-Fluoro-benzyl)-piperidin-4-yl]-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62531043.gif)
