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CAS 5780-70-1 4-METHYL-1-PIPERAZINEACETIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 5780-70-1

4-METHYL-1-PIPERAZINEACETIC ACID METHYL ESTER

  • Product code: SSC-166008
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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: 1g, 0.25g, 25g, 0.1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 5780-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 3 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

5780-70-1 / methyl 2-(4-methylpiperazin-1-yl)acetate

Standard CAS: 5780-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5780-70-1
Multi CAS
No
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
InChI
InChI=1S/C8H16N2O2/c1-9-3-5-10(6-4-9)7-8(11)12-2/h3-7H2,1-2H3
InChIKey
LGFZMXDFNYFURS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.95
TPSA
32.78

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.53
Consensus LogP
-0.37
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.19

Drug-likeness / Medicinal Chemistry

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

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