CAS RN: 644982-20-7
4-CARBOXYMETHYL-4-PHENYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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.20251209 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-174226
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 |
644982-20-7 / 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidin-4-yl]acetic acid
Basic Information
CAS
644982-20-7
Multi CAS
No
Molecular Formula
C18H25NO4
Molecular Weight
319.400000
Exact Mass
319.178358
InChI
InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19,13-15(20)21)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,21)
InChIKey
PHZLCYDLZUDCEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.41
TPSA
66.84
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
2.9
Consensus LogP
3.12
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
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
-
-
(3,5-Dibromo-phenyl)-acetic acid methyl ester
- CAS RN: 644982-90-1
- Product Code: SSC-174228
-
-
-
Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 645400-44-8
- Product Code: SSC-174279
-
4-Chloro-5-hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
- CAS RN: 645405-18-1
- Product Code: SSC-174280
![CAS 645400-44-8 Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/645400-44-8.gif)
