CAS RN: 61085-60-7
methyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
- Product code: SSC-169853
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
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
61085-60-7 / methyl 4-anilino-1-benzylpiperidine-4-carboxylate
Basic Information
CAS
61085-60-7
Multi CAS
No
Molecular Formula
C20H24N2O2
Molecular Weight
324.400000
Exact Mass
324.183778
InChI
InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3
InChIKey
NPNNCHCGYDKUTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.76
TPSA
41.57
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.7
Consensus LogP
3.31
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
bis(3′,5′)-cyclic diguanylic acid
- CAS RN: 61093-23-0
- Product Code: starshine_CAS61093-23-0
- Purity/Analytical method: >99.0%
-
Ethyl 7-chloropyrazolo[1,5-a]pyriMidine-5-carboxylate
- CAS RN: 61098-37-1
- Product Code: SSC-169857
-
4-(2,6-diphenylpyridin-4-yl)aniline
- CAS RN: 61102-76-9
- Product Code: starshine_CAS61102-76-9
- Purity/Analytical method: >99.0%
-
-
![CAS 61098-37-1 Ethyl 7-chloropyrazolo[1,5-a]pyriMidine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61098-37-1.gif)
