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CAS 99718-67-9 2-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)isoindoline-1,3-dione molecular structure lightbox
CAS RN: 99718-67-9

2-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)isoindoline-1,3-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 1g Out of stock 15 business days Inquiry
  • Product code: SSC-213308
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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: 0.25g
  • 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 99718-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

99718-67-9 / 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Standard CAS: 99718-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99718-67-9
Multi CAS
No
Molecular Formula
C21H23N3O3
Molecular Weight
365.400000
Exact Mass
365.173942
InChI
InChI=1S/C21H23N3O3/c1-27-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-20(25)16-6-2-3-7-17(16)21(24)26/h2-9H,10-15H2,1H3
InChIKey
JRSLARDFVUZKAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
103.46
TPSA
53.09

LogP / Solubility

WLOGP
2.11
MLOGP
1.88
XLogP3
2.5
Consensus LogP
2.16
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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