Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate
TL;DR: Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate (CAS 26561-47-7) is a chemical compound with molecular formula C6H5BrCl2O2 and molecular weight 257.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-5,5-dichloropenta-2,4-dienoate
Also Known As: methyl 2-bromo-5,5-dichloropenta-2,4-dienoate, Methyl 2-bromo-5,5-dichloro-penta-2,4-dienoate, methyl 1-bromo-4,4-dichloro-1,3-butadiene-1-carboxylate
| Molecular Formula | C6H5BrCl2O2 |
|---|---|
| Molecular Weight | 257.88 g/mol |
| LogP | 2.7572 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.885 |
| Heavy Atoms | 11 |
| Complexity | 206.62782 |
Chemical Identifiers
| CAS Number | 26561-47-7 |
|---|---|
| SMILES | COC(=O)C(=CC=C(Cl)Cl)Br |
Product Overview
Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate (CAS 26561-47-7), with molecular formula C6H5BrCl2O2 and molecular weight 257.88 g/mol. IUPAC: methyl 2-bromo-5,5-dichloropenta-2,4-dienoate.
Chemical Property Profile of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate
Property Insights of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate
The XLogP value of 2.7572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate 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 Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate?
The CAS number of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate is 26561-47-7.
What is the molecular formula of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate?
The molecular formula of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate is C6H5BrCl2O2.
What is the molecular weight of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate?
The molecular weight of Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate is 257.88 g/mol.
Where can I buy Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate?
You can request a quote for Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-5,5-dichloropenta-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.