己酸-2-溴乙酯
TL;DR: 己酸-2-溴乙酯 (CAS 6282-52-6) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸-2-溴乙酯
2-bromoethyl hexanoate
Also Known As: 2-Bromoethyl hexanoate, HEXANOIC ACID, 2-BROMOETHYL ESTER, Hexanoic acid (2-bromoethyl) ester, 4-02-00-00922 (Beilstein Handbook Reference), BRN 1756784
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 6282-52-6 |
|---|---|
| SMILES | CCCCCC(=O)OCCBr |
| InChIKey | AHELICBDMBDYSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸-2-溴乙酯 (CAS 6282-52-6), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: 2-bromoethyl hexanoate.
Chemical Property Profile of 己酸-2-溴乙酯
Property Insights of 己酸-2-溴乙酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己酸-2-溴乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸-2-溴乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸-2-溴乙酯 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 己酸-2-溴乙酯?
The CAS number of 己酸-2-溴乙酯 is 6282-52-6.
What is the molecular formula of 己酸-2-溴乙酯?
The molecular formula of 己酸-2-溴乙酯 is C8H15BrO2.
What is the molecular weight of 己酸-2-溴乙酯?
The molecular weight of 己酸-2-溴乙酯 is 222.03 g/mol.
Where can I buy 己酸-2-溴乙酯?
You can request a quote for 己酸-2-溴乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸-2-溴乙酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸-2-溴乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.