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CAS 119929-87-2 (4-BENZYLPIPERAZIN-1-YL)ACETIC ACID molecular structure lightbox
CAS RN: 119929-87-2

(4-BENZYLPIPERAZIN-1-YL)ACETIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020711
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 119929-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

119929-87-2 / 2-(4-benzylpiperazin-1-yl)acetic acid

(4-Benzyl-piperazin-1-yl)-acetic acid | DTXSID10362787 | RefChem:208572

Standard CAS: 119929-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119929-87-2
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKey
FNCALUISHXHMND-UHFFFAOYSA-N
Synonyms
(4-Benzyl-piperazin-1-yl)-acetic acid DTXSID10362787 RefChem:208572 DTXCID70313836 2-(4-benzylpiperazin-1-yl)acetic acid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.79
TPSA
43.78

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
-1.1
Consensus LogP
0.19
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-3.52

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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