[email protected]
CAS 146256-97-5 3-(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino) -propionic acid ethyl ester molecular structure lightbox
CAS RN: 146256-97-5

3-(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino) -propionic acid ethyl ester

  • Product code: SSC-057351
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 146256-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry

146256-97-5 / ethyl 3-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Standard CAS: 146256-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146256-97-5
Multi CAS
No
Molecular Formula
C14H25NO6
Molecular Weight
303.350000
Exact Mass
303.168188
SMILES
CCOC(=O)CCN(CC(=O)OCC)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO6/c1-6-19-11(16)8-9-15(10-12(17)20-7-2)13(18)21-14(3,4)5/h6-10H2,1-5H3
InChIKey
DCKXWKWPBLYKJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
75.69
TPSA
82.14

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us