CAS RN: 1015423-45-6
2,5-Dibromo-3,4-thiophenedicarboxylic Anhydride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250604 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251027 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260520 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTD4542
- Purity/Analytical Methods: >98.0%(GC)
1015423-45-6 / 4,6-dibromothieno[3,4-c]furan-1,3-dione
2,5-Dibromo-3,4-thiophenedicarboxylic Anhydride | RefChem:444227 | 808-074-3
Basic Information
CAS
1015423-45-6
Multi CAS
No
Molecular Formula
C6Br2O3S
Molecular Weight
311.940000
Exact Mass
311.791440
SMILES
C12=C(SC(=C1C(=O)OC2=O)Br)Br
InChI
InChI=1S/C6Br2O3S/c7-3-1-2(4(8)12-3)6(10)11-5(1)9
InChIKey
OQMJQMGTDSIYNQ-UHFFFAOYSA-N
Synonyms
2,5-Dibromo-3,4-thiophenedicarboxylic Anhydride
RefChem:444227
808-074-3
4,6-Dibromothieno[3,4-c]furan-1,3-dione
DIBROMOTHIENO[3,4-C]FURAN-1,3-DIONE
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
H-bond acceptors
4
Molar refractivity
49.46
TPSA
43.37
LogP / Solubility
WLOGP
2.58
MLOGP
2.29
XLogP3
3
Consensus LogP
2.62
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
