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CAS 960079-28-1 4-Bromo-1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacene molecular structure lightbox
CAS RN: 960079-28-1

4-Bromo-1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250409 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-211813
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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: ≥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 960079-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

960079-28-1 / 4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene

Standard CAS: 960079-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
960079-28-1
Multi CAS
No
Molecular Formula
C28H45BR
Molecular Weight
461.600000
Exact Mass
460.270460
InChI
InChI=1S/C28H45Br/c1-9-25(10-2)18-27(13-5,14-6)22-20(25)17-21-23(24(22)29)28(15-7,16-8)19-26(21,11-3)12-4/h17H,9-16,18-19H2,1-8H3
InChIKey
SNWPVKQFJCNSIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
8
Molar refractivity
132.42
TPSA
0.0000

LogP / Solubility

WLOGP
9.49
MLOGP
8.38
XLogP3
12.1
Consensus LogP
9.99
Log S (ESOL)
-8.3
Class (ESOL)
Insoluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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