2,5-Dibromo-3,4-dinitrothiophene
TL;DR: 2,5-Dibromo-3,4-dinitrothiophene (CAS 55517-74-3) is a chemical compound with molecular formula C4Br2N2O4S and molecular weight 329.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-3,4-dinitrothiophene
Also Known As: 2,5-Dibromo-3,4-dinitrothiophene, 2,5-Dibromo-3,4-dinitro-thiophene, C4Br2N2O4S, Dibromo-3,4-dinitrothio, 3-chloro-4-phenylpyridine
| Molecular Formula | C4Br2N2O4S |
|---|---|
| Molecular Weight | 329.79 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.79456 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 55517-74-3 |
|---|---|
| SMILES | C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-] |
| InChIKey | AHGHPBPARMANQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dibromo-3,4-dinitrothiophene (CAS 55517-74-3), with molecular formula C4Br2N2O4S and molecular weight 329.79 g/mol. IUPAC: 2,5-dibromo-3,4-dinitrothiophene.
Chemical Property Profile of 2,5-Dibromo-3,4-dinitrothiophene
Property Insights of 2,5-Dibromo-3,4-dinitrothiophene
The XLogP value of 3.3 indicates that 2,5-Dibromo-3,4-dinitrothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dibromo-3,4-dinitrothiophene. Following Lipinski's Rule of Five, 2,5-Dibromo-3,4-dinitrothiophene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dibromo-3,4-dinitrothiophene?
The CAS number of 2,5-Dibromo-3,4-dinitrothiophene is 55517-74-3.
What is the molecular formula of 2,5-Dibromo-3,4-dinitrothiophene?
The molecular formula of 2,5-Dibromo-3,4-dinitrothiophene is C4Br2N2O4S.
What is the molecular weight of 2,5-Dibromo-3,4-dinitrothiophene?
The molecular weight of 2,5-Dibromo-3,4-dinitrothiophene is 329.79 g/mol.
Where can I buy 2,5-Dibromo-3,4-dinitrothiophene?
You can request a quote for 2,5-Dibromo-3,4-dinitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dibromo-3,4-dinitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dibromo-3,4-dinitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.