Ethyl 1-bromocyclobutanecarboxylate
TL;DR: Ethyl 1-bromocyclobutanecarboxylate (CAS 35120-18-4) is a chemical compound with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-bromocyclobutane-1-carboxylate
Also Known As: Ethyl 1-bromocyclobutanecarboxylate, ethyl 1-bromocyclobutane-1-carboxylate, null, 1-Bromocyclobutanecarboxylic acid ethyl ester, DODECANAL
| Molecular Formula | C7H11BrO2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.99425 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 35120-18-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCC1)Br |
| InChIKey | UTVNSHXHFRIXMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-bromocyclobutanecarboxylate (CAS 35120-18-4), with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol. IUPAC: ethyl 1-bromocyclobutane-1-carboxylate.
Chemical Property Profile of Ethyl 1-bromocyclobutanecarboxylate
Property Insights of Ethyl 1-bromocyclobutanecarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-bromocyclobutanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 1-bromocyclobutanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-bromocyclobutanecarboxylate 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 Ethyl 1-bromocyclobutanecarboxylate?
The CAS number of Ethyl 1-bromocyclobutanecarboxylate is 35120-18-4.
What is the molecular formula of Ethyl 1-bromocyclobutanecarboxylate?
The molecular formula of Ethyl 1-bromocyclobutanecarboxylate is C7H11BrO2.
What is the molecular weight of Ethyl 1-bromocyclobutanecarboxylate?
The molecular weight of Ethyl 1-bromocyclobutanecarboxylate is 205.99 g/mol.
Where can I buy Ethyl 1-bromocyclobutanecarboxylate?
You can request a quote for Ethyl 1-bromocyclobutanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-bromocyclobutanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-bromocyclobutanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.