![CAS 752966-27-1 methyl 3-Amino-3-[4-(phenylmethoxy)phenyl]propionate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/752966-27-1.gif)
CAS RN: 752966-27-1
methyl 3-Amino-3-[4-(phenylmethoxy)phenyl]propionate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-184757
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: 5g, 0.1g, 0.25g, 1g
- Available purity: ≥95%
- 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.
752966-27-1 / methyl 3-amino-3-(4-phenylmethoxyphenyl)propanoate
Basic Information
CAS
752966-27-1
Multi CAS
No
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
InChI
InChI=1S/C17H19NO3/c1-20-17(19)11-16(18)14-7-9-15(10-8-14)21-12-13-5-3-2-4-6-13/h2-10,16H,11-12,18H2,1H3
InChIKey
ILCMUDOUJORZIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.78
TPSA
61.55
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.1
Consensus LogP
2.48
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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