2,4-Dimethylphenyl 2-bromobenzoate
TL;DR: 2,4-Dimethylphenyl 2-bromobenzoate (CAS 86914-94-5) is a chemical compound with molecular formula C15H13BrO2 and molecular weight 304.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dimethylphenyl) 2-bromobenzoate
Also Known As: 2,4-dimethylphenyl 2-bromobenzoate, (2,4-dimethylphenyl) 2-bromobenzoate, AN-652/42296117
| Molecular Formula | C15H13BrO2 |
|---|---|
| Molecular Weight | 304.01 g/mol |
| LogP | 4.28514 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0099 |
| Heavy Atoms | 18 |
| Complexity | 590.7975 |
Chemical Identifiers
| CAS Number | 86914-94-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Br)C |
Product Overview
2,4-Dimethylphenyl 2-bromobenzoate (CAS 86914-94-5), with molecular formula C15H13BrO2 and molecular weight 304.01 g/mol. IUPAC: (2,4-dimethylphenyl) 2-bromobenzoate.
Chemical Property Profile of 2,4-Dimethylphenyl 2-bromobenzoate
Property Insights of 2,4-Dimethylphenyl 2-bromobenzoate
The XLogP value of 4.28514 indicates that 2,4-Dimethylphenyl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-Dimethylphenyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylphenyl 2-bromobenzoate 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 2,4-Dimethylphenyl 2-bromobenzoate?
The CAS number of 2,4-Dimethylphenyl 2-bromobenzoate is 86914-94-5.
What is the molecular formula of 2,4-Dimethylphenyl 2-bromobenzoate?
The molecular formula of 2,4-Dimethylphenyl 2-bromobenzoate is C15H13BrO2.
What is the molecular weight of 2,4-Dimethylphenyl 2-bromobenzoate?
The molecular weight of 2,4-Dimethylphenyl 2-bromobenzoate is 304.01 g/mol.
Where can I buy 2,4-Dimethylphenyl 2-bromobenzoate?
You can request a quote for 2,4-Dimethylphenyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylphenyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylphenyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.