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CAS 17702-83-9 N-(8-BROMOOCTYL)PHTHALIMIDE molecular structure lightbox
CAS RN: 17702-83-9

N-(8-BROMOOCTYL)PHTHALIMIDE

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 100g In stock Shanghai Inquiry
Batchno.20250501 10g In stock Shanghai, Chengdu Inquiry
Batchno.20250423 1g In stock Shanghai Inquiry
Batchno.20251114 1g / 5g / 10g / 25g / 100g Out of stock 8-10 business days Inquiry
Batchno.20251011 25g In stock Shanghai Inquiry
Batchno.20260104 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-077430
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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: 5g
  • 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 17702-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

17702-83-9 / 2-(8-bromooctyl)isoindole-1,3-dione

Standard CAS: 17702-83-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17702-83-9
Multi CAS
No
Molecular Formula
C16H20BrNO2
Molecular Weight
338.240000
Exact Mass
337.067740
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCBr
InChI
InChI=1S/C16H20BrNO2/c17-11-7-3-1-2-4-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h5-6,9-10H,1-4,7-8,11-12H2
InChIKey
LAMUQORCSIHVMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
83.31
TPSA
37.38

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
4.8
Consensus LogP
4.12
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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