2,5-Dibromo-3,4-dinitrothiophene hydrate
TL;DR: 2,5-Dibromo-3,4-dinitrothiophene hydrate (CAS 254732-52-0) is a chemical compound with molecular formula C4H2Br2N2O5S and molecular weight 347.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-3,4-dinitrothiophene;hydrate
Also Known As: 2,5-dibromo-3,4-dinitrothiophene hydrate, 2,5-dibromo-3,4-dinitrothiophene;hydrate, 2,5-dibromo-3,4-dinitro-thiophene Hydrate, Thiophene, 2,5-dibromo-3,4-dinitro-, hydrate (1:1)
| Molecular Formula | C4H2Br2N2O5S |
|---|---|
| Molecular Weight | 347.81 g/mol |
| LogP | 2.2648 |
| Topological Polar Surface Area | 117.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.8051 |
| Heavy Atoms | 14 |
| Complexity | 356.82852 |
Chemical Identifiers
| CAS Number | 254732-52-0 |
|---|---|
| SMILES | C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-].O |
Product Overview
2,5-Dibromo-3,4-dinitrothiophene hydrate (CAS 254732-52-0), with molecular formula C4H2Br2N2O5S and molecular weight 347.81 g/mol. IUPAC: 2,5-dibromo-3,4-dinitrothiophene;hydrate.
Chemical Property Profile of 2,5-Dibromo-3,4-dinitrothiophene hydrate
Property Insights of 2,5-Dibromo-3,4-dinitrothiophene hydrate
The XLogP value of 2.2648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dibromo-3,4-dinitrothiophene hydrate. The TPSA of 117.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dibromo-3,4-dinitrothiophene hydrate. Following Lipinski's Rule of Five, 2,5-Dibromo-3,4-dinitrothiophene hydrate 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 hydrate?
The CAS number of 2,5-Dibromo-3,4-dinitrothiophene hydrate is 254732-52-0.
What is the molecular formula of 2,5-Dibromo-3,4-dinitrothiophene hydrate?
The molecular formula of 2,5-Dibromo-3,4-dinitrothiophene hydrate is C4H2Br2N2O5S.
What is the molecular weight of 2,5-Dibromo-3,4-dinitrothiophene hydrate?
The molecular weight of 2,5-Dibromo-3,4-dinitrothiophene hydrate is 347.81 g/mol.
Where can I buy 2,5-Dibromo-3,4-dinitrothiophene hydrate?
You can request a quote for 2,5-Dibromo-3,4-dinitrothiophene hydrate 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 hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dibromo-3,4-dinitrothiophene hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.