4,5-Dibromocyclopent-4-ene-1,3-dione
TL;DR: 4,5-Dibromocyclopent-4-ene-1,3-dione (CAS 42003-39-4) is a chemical compound with molecular formula C5H2Br2O2 and molecular weight 251.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dibromocyclopent-4-ene-1,3-dione
Also Known As: 4,5-dibromocyclopent-4-ene-1,3-dione, 4,5-dibromo-4-cyclopentene-1,3-dione, 4,5-dibromo-cyclopent-4-ene-1,3-dione
| Molecular Formula | C5H2Br2O2 |
|---|---|
| Molecular Weight | 251.84 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.84215 |
| Heavy Atoms | 9 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 42003-39-4 |
|---|---|
| SMILES | C1C(=O)C(=C(C1=O)Br)Br |
| InChIKey | QSAOJLXFMVFXFP-UHFFFAOYSA-N |
Product Overview
4,5-Dibromocyclopent-4-ene-1,3-dione (CAS 42003-39-4), with molecular formula C5H2Br2O2 and molecular weight 251.84 g/mol. IUPAC: 4,5-dibromocyclopent-4-ene-1,3-dione.
Chemical Property Profile of 4,5-Dibromocyclopent-4-ene-1,3-dione
Property Insights of 4,5-Dibromocyclopent-4-ene-1,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dibromocyclopent-4-ene-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4,5-Dibromocyclopent-4-ene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dibromocyclopent-4-ene-1,3-dione has 0 hydrogen bond donor(s) and 2 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 4,5-Dibromocyclopent-4-ene-1,3-dione?
The CAS number of 4,5-Dibromocyclopent-4-ene-1,3-dione is 42003-39-4.
What is the molecular formula of 4,5-Dibromocyclopent-4-ene-1,3-dione?
The molecular formula of 4,5-Dibromocyclopent-4-ene-1,3-dione is C5H2Br2O2.
What is the molecular weight of 4,5-Dibromocyclopent-4-ene-1,3-dione?
The molecular weight of 4,5-Dibromocyclopent-4-ene-1,3-dione is 251.84 g/mol.
Where can I buy 4,5-Dibromocyclopent-4-ene-1,3-dione?
You can request a quote for 4,5-Dibromocyclopent-4-ene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dibromocyclopent-4-ene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dibromocyclopent-4-ene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.