![CAS 1239327-73-1 4,9-Dibromo-2,7-dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1239327-73-1.gif)
CAS RN: 1239327-73-1
4,9-Dibromo-2,7-dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260115 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250923 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250318 | 1g | Out of stock | Inquiry | ||
| Batchno.20250705 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-027557
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1239327-73-1 / 2,9-dibromo-6,13-dihexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
Basic Information
CAS
1239327-73-1
Multi CAS
No
Molecular Formula
C26H28Br2N2O4
Molecular Weight
592.300000
Exact Mass
592.039530
SMILES
CCCCCCN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CCCCCC)Br)C1=O)Br
InChI
InChI=1S/C26H28Br2N2O4/c1-3-5-7-9-11-29-23(31)15-13-18(28)22-20-16(14-17(27)21(19(15)20)25(29)33)24(32)30(26(22)34)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
VMGCOHAXJKXGCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
138.37
TPSA
74.76
LogP / Solubility
WLOGP
6.72
MLOGP
5.96
XLogP3
7.2
Consensus LogP
6.63
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-9.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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