Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
TL;DR: Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate (CAS 62738-36-7) is a chemical compound with molecular formula C12H19BrO3 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
Also Known As: ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate, ethyl 1-(3-bromopropyl)-2-oxocyclohexanecarboxylate, 1-(3-Bromopropyl)-2-oxocyclohexanecarboxylic acid ethyl ester, 1-(3-bromo-propyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester, Cyclohexanecarboxylicacid, 1-(3-bromopropyl)-2-oxo-, ethyl ester
| Molecular Formula | C12H19BrO3 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.05176 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 62738-36-7 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)CCCBr |
| InChIKey | VWEWMLZXOZGHMI-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate (CAS 62738-36-7), with molecular formula C12H19BrO3 and molecular weight 290.05 g/mol. IUPAC: ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
Property Insights of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate 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 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate?
The CAS number of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate is 62738-36-7.
What is the molecular formula of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate?
The molecular formula of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate is C12H19BrO3.
What is the molecular weight of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate?
The molecular weight of Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate is 290.05 g/mol.
Where can I buy Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate?
You can request a quote for Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.