![CAS 2641512-32-3 1-Piperidineacetic acid, 4-[4-[(2,6-dioxo-3-piperidinyl)amino]phenyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2641512-32-3.gif)
CAS RN: 2641512-32-3
1-Piperidineacetic acid, 4-[4-[(2,6-dioxo-3-piperidinyl)amino]phenyl]-, 1,1-dimethylethyl ester
- Product code: SSC-124057
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 | Hong Kong | Inquiry |
2641512-32-3 / tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetate
Basic Information
CAS
2641512-32-3
Multi CAS
No
Molecular Formula
C22H31N3O4
Molecular Weight
401.500000
Exact Mass
401.231456
InChI
InChI=1S/C22H31N3O4/c1-22(2,3)29-20(27)14-25-12-10-16(11-13-25)15-4-6-17(7-5-15)23-18-8-9-19(26)24-21(18)28/h4-7,16,18,23H,8-14H2,1-3H3,(H,24,26,28)
InChIKey
MRMRZYOSJULDBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
110.5
TPSA
87.74
LogP / Solubility
WLOGP
2.42
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.39
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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