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CAS 2245697-86-1 Thalidomide-O-amido-C4-NH2 hydrochloride molecular structure lightbox
CAS RN: 2245697-86-1

Thalidomide-O-amido-C4-NH2 hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-109680
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • 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 2245697-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

2245697-86-1 / N-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride

Standard CAS: 2245697-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2245697-86-1
Multi CAS
No
Molecular Formula
C19H23ClN4O6
Molecular Weight
438.900000
Exact Mass
438.130612
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCN.Cl
InChI
InChI=1S/C19H22N4O6.ClH/c20-8-1-2-9-21-15(25)10-29-13-5-3-4-11-16(13)19(28)23(18(11)27)12-6-7-14(24)22-17(12)26;/h3-5,12H,1-2,6-10,20H2,(H,21,25)(H,22,24,26);1H
InChIKey
UZDTXDUTMCCMDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
107.15
TPSA
147.9

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.2
XLogP3
-0.26
Consensus LogP
-0.24
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.58

Drug-likeness / Medicinal Chemistry

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

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