![ethyl bromo(dioxo)[?]carboxylate structure](/static/products/7509/7509-39-9.webp)
ethyl bromo(dioxo)[?]carboxylate
TL;DR: ethyl bromo(dioxo)[?]carboxylate (CAS 7509-39-9) is a chemical compound with molecular formula C9H11BrO6S and molecular weight 325.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate
Also Known As: ethyl bromo(dioxo)[?]carboxylate, Ethyl 2-bromo-5,5-dioxo-4,8-dioxa-5lambda6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate, Ethyl 6-bromotetrahydro-3H-3,5-methanofuro[2,3-d][1,2]oxathiole-7-carboxylate 2,2-dioxide, Ethyl 6-bromo-2,2-dioxohexahydro-3,5-methano-2lambda~6~-furo[2,3-d][1,2]oxathiole-7-carboxylate
| Molecular Formula | C9H11BrO6S |
|---|---|
| Molecular Weight | 325.95 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.94598 |
| Heavy Atoms | 17 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 7509-39-9 |
|---|---|
| SMILES | CCOC(=O)C1C2C(C3C(C1S(=O)(=O)O3)O2)Br |
| InChIKey | QJIKAKOGUXCEFM-UHFFFAOYSA-N |
Product Overview
ethyl bromo(dioxo)[?]carboxylate (CAS 7509-39-9), with molecular formula C9H11BrO6S and molecular weight 325.95 g/mol. IUPAC: ethyl 2-bromo-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate.
Chemical Property Profile of ethyl bromo(dioxo)[?]carboxylate
Property Insights of ethyl bromo(dioxo)[?]carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl bromo(dioxo)[?]carboxylate. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl bromo(dioxo)[?]carboxylate. Following Lipinski's Rule of Five, ethyl bromo(dioxo)[?]carboxylate has 0 hydrogen bond donor(s) and 6 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 bromo(dioxo)[?]carboxylate?
The CAS number of ethyl bromo(dioxo)[?]carboxylate is 7509-39-9.
What is the molecular formula of ethyl bromo(dioxo)[?]carboxylate?
The molecular formula of ethyl bromo(dioxo)[?]carboxylate is C9H11BrO6S.
What is the molecular weight of ethyl bromo(dioxo)[?]carboxylate?
The molecular weight of ethyl bromo(dioxo)[?]carboxylate is 325.95 g/mol.
Where can I buy ethyl bromo(dioxo)[?]carboxylate?
You can request a quote for ethyl bromo(dioxo)[?]carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl bromo(dioxo)[?]carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl bromo(dioxo)[?]carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.