![CAS 252919-08-7 N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252919-08-7.gif)
CAS RN: 252919-08-7
N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250824 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-121123
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, 25g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 | -- | 3 In Stock | Beijing | Inquiry |
| 1g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 25g | -- | 2 In Stock | Beijing | Inquiry |
| 25g | >97% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
252919-08-7 / 3-[benzyl(phenylmethoxycarbonyl)amino]propanoic acid
Basic Information
CAS
252919-08-7
Multi CAS
No
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
SMILES
C1=CC=C(C=C1)CN(CCC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H19NO4/c20-17(21)11-12-19(13-15-7-3-1-4-8-15)18(22)23-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)
InChIKey
RGNBASLLMGVXSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.73
TPSA
66.84
LogP / Solubility
WLOGP
3.3
MLOGP
2.92
XLogP3
2.6
Consensus LogP
2.94
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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