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CAS 25772-94-5 ETHYL 3-(N-BENZYL-N-METHYLAMINO)PROPANOATE molecular structure lightbox
CAS RN: 25772-94-5

ETHYL 3-(N-BENZYL-N-METHYLAMINO)PROPANOATE

  • Product code: SSC-122278
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25772-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Shanghai Inquiry

25772-94-5 / ethyl 3-[benzyl(methyl)amino]propanoate

Standard CAS: 25772-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25772-94-5
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
CCOC(=O)CCN(C)CC1=CC=CC=C1
InChI
InChI=1S/C13H19NO2/c1-3-16-13(15)9-10-14(2)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKey
XMCDHJNMZJAIRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
64.03
TPSA
29.54

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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