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CAS 2093387-55-2 4-[(7-Aminoheptyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl molecular structure lightbox
CAS RN: 2093387-55-2

4-[(7-Aminoheptyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250330 100mg In stock Shanghai Inquiry
Batchno.20250117 250mg Out of stock Inquiry
Batchno.20260212 25mg In stock Shanghai Inquiry
Batchno.20260620 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20260504 2mg In stock Shanghai Inquiry
Batchno.20260510 50mg In stock Shanghai Inquiry
Batchno.20250814 5mg In stock Shanghai Inquiry
  • Product code: SSC-099159
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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 2093387-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2093387-55-2 / 4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

Standard CAS: 2093387-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093387-55-2
Multi CAS
No
Molecular Formula
C20H27ClN4O4
Molecular Weight
422.900000
Exact Mass
422.172083
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCCN.Cl
InChI
InChI=1S/C20H26N4O4.ClH/c21-11-4-2-1-3-5-12-22-14-8-6-7-13-17(14)20(28)24(19(13)27)15-9-10-16(25)23-18(15)26;/h6-8,15,22H,1-5,9-12,21H2,(H,23,25,26);1H
InChIKey
QICRZTGJMYJVAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
110.99
TPSA
121.6

LogP / Solubility

WLOGP
1.83
MLOGP
1.64
XLogP3
1.83
Consensus LogP
1.77
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4

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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