2-Bromoethyl 4-methylbenzoate
TL;DR: 2-Bromoethyl 4-methylbenzoate (CAS 91619-33-9) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl 4-methylbenzoate
Also Known As: 2-bromoethyl 4-methylbenzoate, 4-Methylbenzoic acid (2-bromoethyl) ester, Benzoicacid, 4-methyl-, 2-bromoethyl ester
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 91619-33-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCBr |
| InChIKey | AEBLMXYXMMHYDL-UHFFFAOYSA-N |
Product Overview
2-Bromoethyl 4-methylbenzoate (CAS 91619-33-9), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 2-bromoethyl 4-methylbenzoate.
Chemical Property Profile of 2-Bromoethyl 4-methylbenzoate
Property Insights of 2-Bromoethyl 4-methylbenzoate
The XLogP value of 3.3 indicates that 2-Bromoethyl 4-methylbenzoate 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-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl 4-methylbenzoate 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-methylbenzoate?
The CAS number of 2-Bromoethyl 4-methylbenzoate is 91619-33-9.
What is the molecular formula of 2-Bromoethyl 4-methylbenzoate?
The molecular formula of 2-Bromoethyl 4-methylbenzoate is C10H11BrO2.
What is the molecular weight of 2-Bromoethyl 4-methylbenzoate?
The molecular weight of 2-Bromoethyl 4-methylbenzoate is 241.99 g/mol.
Where can I buy 2-Bromoethyl 4-methylbenzoate?
You can request a quote for 2-Bromoethyl 4-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.