[email protected]
CAS 389056-48-8 4-(4-ACETYLPIPERAZIN-1-YL)-4-OXOBUTANOIC ACID molecular structure lightbox
CAS RN: 389056-48-8

4-(4-ACETYLPIPERAZIN-1-YL)-4-OXOBUTANOIC ACID

  • Product code: SSC-146510
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 389056-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

389056-48-8 / 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid

Standard CAS: 389056-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
389056-48-8
Multi CAS
No
Molecular Formula
C10H16N2O4
Molecular Weight
228.240000
Exact Mass
228.111007
InChI
InChI=1S/C10H16N2O4/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10(15)16/h2-7H2,1H3,(H,15,16)
InChIKey
RSAMZHWOFXKAGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.7
TPSA
77.92

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.4
XLogP3
-1.6
Consensus LogP
-0.82
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-4.44

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us