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CAS 105264-63-9 N-(8-Hydroxyoctyl)phthalimide molecular structure lightbox
CAS RN: 105264-63-9

N-(8-Hydroxyoctyl)phthalimide

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250327 1g Out of stock 5-7 business days Inquiry
Batchno.20260130 250mg In stock Shanghai Inquiry
  • Product code: SSC-006995
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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: 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 105264-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

105264-63-9 / 2-(8-hydroxyoctyl)isoindole-1,3-dione

DTXSID80619417 | 2-(8-hydroxyoctyl)-1h-isoindole-1,3(2h)-dione | RefChem:1061402

Standard CAS: 105264-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105264-63-9
Multi CAS
No
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCO
InChI
InChI=1S/C16H21NO3/c18-12-8-4-2-1-3-7-11-17-15(19)13-9-5-6-10-14(13)16(17)20/h5-6,9-10,18H,1-4,7-8,11-12H2
InChIKey
RBDXDFOXVNNMNG-UHFFFAOYSA-N
Synonyms
DTXSID80619417 2-(8-hydroxyoctyl)-1h-isoindole-1,3(2h)-dione RefChem:1061402 DTXCID40570171 N-(8-Hydroxyoctyl)phthalimide

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.6
TPSA
57.61

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
3.3
Consensus LogP
2.74
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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
1.5

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