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CAS 163521-20-8 Vilazodone Intermediate molecular structure lightbox
CAS RN: 163521-20-8

Vilazodone Intermediate

  • Product code: SSC-071037
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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: 5g
  • 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 163521-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

163521-20-8 / ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate

Standard CAS: 163521-20-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163521-20-8
Multi CAS
No
Molecular Formula
C15H18N2O3
Molecular Weight
274.310000
Exact Mass
274.131742
SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3
InChI
InChI=1S/C15H18N2O3/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H3
InChIKey
ZKLDXJIVWKPASZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
77.25
TPSA
54.71

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2.3
Consensus LogP
2.04
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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