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CAS 2229976-16-1 Acetic acid, 2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]oxy]- molecular structure lightbox
CAS RN: 2229976-16-1

Acetic acid, 2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]oxy]-

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 100mg In stock Shanghai Inquiry
Batchno.20251010 1g In stock Shanghai Inquiry
Batchno.20250628 250mg In stock Shanghai Inquiry
Batchno.20250815 50mg In stock Shanghai Inquiry
  • Product code: SSC-108562
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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: ＞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 2229976-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

2229976-16-1 / 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetic acid

Standard CAS: 2229976-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2229976-16-1
Multi CAS
No
Molecular Formula
C15H14N2O6
Molecular Weight
318.280000
Exact Mass
318.085186
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC(=O)O
InChI
InChI=1S/C15H14N2O6/c18-12-5-4-10(14(21)16-12)17-6-9-8(15(17)22)2-1-3-11(9)23-7-13(19)20/h1-3,10H,4-7H2,(H,19,20)(H,16,18,21)
InChIKey
WJZXODCLCFQYLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.62
TPSA
113.01

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.06
XLogP3
-0.3
Consensus LogP
-0.15
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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