Ethyl 1-bromocyclohexane-1-carboxylate
TL;DR: Ethyl 1-bromocyclohexane-1-carboxylate (CAS 41949-98-8) is a chemical compound with molecular formula C9H15BrO2 and molecular weight 234.02554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-bromocyclohexane-1-carboxylate
Also Known As: ethyl 1-bromocyclohexanecarboxylate, ethyl 1-bromocyclohexane-1-carboxylate, ethyl1-bromocyclohexane-1-carboxylate, ethyl1-bromocyclohexanecarboxylate, 1-BROMO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER
Technical Specifications
| Molecular Formula | C9H15BrO2 |
| Molecular Weight | 234.02554 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.02554 Da |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| SMILES | CCOC(=O)C1(CCCCC1)Br |
| InChIKey | DAJRAUFUJGNWDE-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 1-bromocyclohexane-1-carboxylate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Ethyl 1-bromocyclohexane-1-carboxylate (CAS 41949-98-8) has the molecular formula C9H15BrO2 and a molecular weight of 234.03 g/mol. Synonyms include ethyl 1-bromocyclohexanecarboxylate and ethyl 1-bromocyclohexane-1-carboxylate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 1-bromocyclohexane-1-carboxylate
Property Insights of Ethyl 1-bromocyclohexane-1-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-bromocyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 1-bromocyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-bromocyclohexane-1-carboxylate 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
What is the CAS number of Ethyl 1-bromocyclohexane-1-carboxylate?
The CAS number of Ethyl 1-bromocyclohexane-1-carboxylate is 41949-98-8.
What is the molecular formula of Ethyl 1-bromocyclohexane-1-carboxylate?
The molecular formula of Ethyl 1-bromocyclohexane-1-carboxylate is C9H15BrO2.
What is the molecular weight of Ethyl 1-bromocyclohexane-1-carboxylate?
The molecular weight of Ethyl 1-bromocyclohexane-1-carboxylate is 234.02554 g/mol.
What are the applications of Ethyl 1-bromocyclohexane-1-carboxylate?
Ethyl 1-bromocyclohexane-1-carboxylate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation...
Where can I buy Ethyl 1-bromocyclohexane-1-carboxylate?
You can request a quote for Ethyl 1-bromocyclohexane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-bromocyclohexane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-bromocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.