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CAS 1190978-94-9 4,7-dibroMo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazole molecular structure lightbox
CAS RN: 1190978-94-9

4,7-dibroMo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 10g Out of stock Inquiry
Batchno.20260502 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250702 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250513 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-019564
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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 1190978-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1190978-94-9 / 4,7-dibromo-5,6-dihexoxy-2,1,3-benzothiadiazole

4,7-dibromo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazole | 4,7-Dibromo-5,6-dihexoxy-2,1,3-benzothiadiazole | MFCD28053756

Standard CAS: 1190978-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190978-94-9
Multi CAS
Yes
Molecular Formula
C18H26Br2N2O2S
Molecular Weight
494.300000
Exact Mass
494.006130
SMILES
CCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCC)Br)Br
InChI
InChI=1S/C18H26Br2N2O2S/c1-3-5-7-9-11-23-17-13(19)15-16(22-25-21-15)14(20)18(17)24-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
PTSISHLHJISGOZ-UHFFFAOYSA-N
Synonyms
4,7-dibromo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazole 4,7-Dibromo-5,6-dihexoxy-2,1,3-benzothiadiazole MFCD28053756 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-bis(hexyloxy)- C18H26Br2N2O2S

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
112.09
TPSA
44.24

LogP / Solubility

WLOGP
7.13
MLOGP
6.31
XLogP3
7.8
Consensus LogP
7.08
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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