3,4-Dibromobut-1-ene-1,4-diol
TL;DR: 3,4-Dibromobut-1-ene-1,4-diol (CAS 52655-12-6) is a chemical compound with molecular formula C4H6Br2O2 and molecular weight 243.87344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dibromobut-1-ene-1,4-diol
Also Known As: Dibromobutenediol, Butenediol, dibromo-, 3,4-dibromobut-1-ene-1,4-diol, EINECS 258-071-0
Technical Specifications
| Molecular Formula | C4H6Br2O2 |
| Molecular Weight | 243.87344 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.87141 Da |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| SMILES | C(=CO)C(C(O)Br)Br |
| InChIKey | YAZMRTYGIXWSBY-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dibromobut-1-ene-1,4-diol
Property Insights of 3,4-Dibromobut-1-ene-1,4-diol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dibromobut-1-ene-1,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,4-Dibromobut-1-ene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dibromobut-1-ene-1,4-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dibromobut-1-ene-1,4-diol?
The CAS number of 3,4-Dibromobut-1-ene-1,4-diol is 52655-12-6.
What is the molecular formula of 3,4-Dibromobut-1-ene-1,4-diol?
The molecular formula of 3,4-Dibromobut-1-ene-1,4-diol is C4H6Br2O2.
What is the molecular weight of 3,4-Dibromobut-1-ene-1,4-diol?
The molecular weight of 3,4-Dibromobut-1-ene-1,4-diol is 243.87344 g/mol.
Where can I buy 3,4-Dibromobut-1-ene-1,4-diol?
You can request a quote for 3,4-Dibromobut-1-ene-1,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dibromobut-1-ene-1,4-diol?
Yes, CoreyChem provides custom synthesis services for 3,4-Dibromobut-1-ene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.