Methyl 4-(3-bromopropoxy)benzoate
TL;DR: Methyl 4-(3-bromopropoxy)benzoate (CAS 135998-88-8) is a chemical compound with molecular formula C11H13BrO3 and molecular weight 272.00482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-bromopropoxy)benzoate
Also Known As: methyl 4-(3-bromopropoxy)benzoate, 4-(3-bromo-propoxy)-benzoic acid methyl ester, Methyl 4-(3-bromopropoxy)benzenecarboxylate, Methyl4-(3-bromopropoxy)benzoate, methylbromopropoxybenzenecarboxylate
Technical Specifications
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 272.00482 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.00482 Da |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)OCCCBr |
| InChIKey | UXQAWAAALKEOIM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(3-bromopropoxy)benzoate
Property Insights of Methyl 4-(3-bromopropoxy)benzoate
The XLogP value of 3.4 indicates that Methyl 4-(3-bromopropoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-(3-bromopropoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-bromopropoxy)benzoate 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
What is the CAS number of Methyl 4-(3-bromopropoxy)benzoate?
The CAS number of Methyl 4-(3-bromopropoxy)benzoate is 135998-88-8.
What is the molecular formula of Methyl 4-(3-bromopropoxy)benzoate?
The molecular formula of Methyl 4-(3-bromopropoxy)benzoate is C11H13BrO3.
What is the molecular weight of Methyl 4-(3-bromopropoxy)benzoate?
The molecular weight of Methyl 4-(3-bromopropoxy)benzoate is 272.00482 g/mol.
Where can I buy Methyl 4-(3-bromopropoxy)benzoate?
You can request a quote for Methyl 4-(3-bromopropoxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(3-bromopropoxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(3-bromopropoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.