Cyclopropylmethyl 3-bromo-4-methoxybenzoate
TL;DR: Cyclopropylmethyl 3-bromo-4-methoxybenzoate (CAS 817565-60-9) is a chemical compound with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropylmethyl 3-bromo-4-methoxybenzoate
Also Known As: cyclopropylmethyl 3-bromo-4-methoxybenzoate, AN-329/42812024
| Molecular Formula | C12H13BrO3 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 3.0245 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.00482 |
| Heavy Atoms | 16 |
| Complexity | 399.2504 |
Chemical Identifiers
| CAS Number | 817565-60-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC2CC2)Br |
Product Overview
Cyclopropylmethyl 3-bromo-4-methoxybenzoate (CAS 817565-60-9), with molecular formula C12H13BrO3 and molecular weight 284.00 g/mol. IUPAC: cyclopropylmethyl 3-bromo-4-methoxybenzoate.
Chemical Property Profile of Cyclopropylmethyl 3-bromo-4-methoxybenzoate
Property Insights of Cyclopropylmethyl 3-bromo-4-methoxybenzoate
The XLogP value of 3.0245 indicates that Cyclopropylmethyl 3-bromo-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Cyclopropylmethyl 3-bromo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropylmethyl 3-bromo-4-methoxybenzoate 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
Frequently Asked Questions
What is the CAS number of Cyclopropylmethyl 3-bromo-4-methoxybenzoate?
The CAS number of Cyclopropylmethyl 3-bromo-4-methoxybenzoate is 817565-60-9.
What is the molecular formula of Cyclopropylmethyl 3-bromo-4-methoxybenzoate?
The molecular formula of Cyclopropylmethyl 3-bromo-4-methoxybenzoate is C12H13BrO3.
What is the molecular weight of Cyclopropylmethyl 3-bromo-4-methoxybenzoate?
The molecular weight of Cyclopropylmethyl 3-bromo-4-methoxybenzoate is 284.00 g/mol.
Where can I buy Cyclopropylmethyl 3-bromo-4-methoxybenzoate?
You can request a quote for Cyclopropylmethyl 3-bromo-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropylmethyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropylmethyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.