Ethyl 3,5-dibromo-4-oxopentanoate
TL;DR: Ethyl 3,5-dibromo-4-oxopentanoate (CAS 104121-69-9) is a chemical compound with molecular formula C7H10Br2O3 and molecular weight 299.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dibromo-4-oxopentanoate
Also Known As: ethyl 3,5-dibromo-4-oxopentanoate
| Molecular Formula | C7H10Br2O3 |
|---|---|
| Molecular Weight | 299.90 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.89966 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 104121-69-9 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)CBr)Br |
| InChIKey | GHCIEKOFCRTBJW-UHFFFAOYSA-N |
Product Overview
Ethyl 3,5-dibromo-4-oxopentanoate (CAS 104121-69-9), with molecular formula C7H10Br2O3 and molecular weight 299.90 g/mol. IUPAC: ethyl 3,5-dibromo-4-oxopentanoate.
Chemical Property Profile of Ethyl 3,5-dibromo-4-oxopentanoate
Property Insights of Ethyl 3,5-dibromo-4-oxopentanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dibromo-4-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3,5-dibromo-4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dibromo-4-oxopentanoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 3,5-dibromo-4-oxopentanoate?
The CAS number of Ethyl 3,5-dibromo-4-oxopentanoate is 104121-69-9.
What is the molecular formula of Ethyl 3,5-dibromo-4-oxopentanoate?
The molecular formula of Ethyl 3,5-dibromo-4-oxopentanoate is C7H10Br2O3.
What is the molecular weight of Ethyl 3,5-dibromo-4-oxopentanoate?
The molecular weight of Ethyl 3,5-dibromo-4-oxopentanoate is 299.90 g/mol.
Where can I buy Ethyl 3,5-dibromo-4-oxopentanoate?
You can request a quote for Ethyl 3,5-dibromo-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dibromo-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dibromo-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.