2-Bromoethyl 4-(propan-2-yl)benzoate
TL;DR: 2-Bromoethyl 4-(propan-2-yl)benzoate (CAS 69895-77-8) is a chemical compound with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl 4-propan-2-ylbenzoate
Also Known As: 2-bromoethyl 4-(propan-2-yl)benzoate, 2-bromoethyl 4-propan-2-ylbenzoate, 2-cyano-2-phenylethyl 4-methoxybenzoate
| Molecular Formula | C12H15BrO2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.02554 |
| Heavy Atoms | 15 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 69895-77-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)OCCBr |
| InChIKey | QKVHYNFVGIQQCQ-UHFFFAOYSA-N |
Product Overview
2-Bromoethyl 4-(propan-2-yl)benzoate (CAS 69895-77-8), with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol. IUPAC: 2-bromoethyl 4-propan-2-ylbenzoate.
Chemical Property Profile of 2-Bromoethyl 4-(propan-2-yl)benzoate
Property Insights of 2-Bromoethyl 4-(propan-2-yl)benzoate
The XLogP value of 4.0 indicates that 2-Bromoethyl 4-(propan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl 4-(propan-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl 4-(propan-2-yl)benzoate 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 2-Bromoethyl 4-(propan-2-yl)benzoate?
The CAS number of 2-Bromoethyl 4-(propan-2-yl)benzoate is 69895-77-8.
What is the molecular formula of 2-Bromoethyl 4-(propan-2-yl)benzoate?
The molecular formula of 2-Bromoethyl 4-(propan-2-yl)benzoate is C12H15BrO2.
What is the molecular weight of 2-Bromoethyl 4-(propan-2-yl)benzoate?
The molecular weight of 2-Bromoethyl 4-(propan-2-yl)benzoate is 270.03 g/mol.
Where can I buy 2-Bromoethyl 4-(propan-2-yl)benzoate?
You can request a quote for 2-Bromoethyl 4-(propan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl 4-(propan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl 4-(propan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.