4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate
TL;DR: 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate (CAS 6986-74-9) is a chemical compound with molecular formula C17H17BrO3 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylphenyl) 3-bromo-4-methoxybenzoate
Also Known As: 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate, (4-propan-2-ylphenyl) 3-bromo-4-methoxybenzoate, (4-propan-2-ylphenyl) 3-bromo-4-methoxy-benzoate
| Molecular Formula | C17H17BrO3 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 4.8003 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0361 |
| Heavy Atoms | 21 |
| Complexity | 632.9835 |
Chemical Identifiers
| CAS Number | 6986-74-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)Br |
Product Overview
4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate (CAS 6986-74-9), with molecular formula C17H17BrO3 and molecular weight 348.04 g/mol. IUPAC: (4-propan-2-ylphenyl) 3-bromo-4-methoxybenzoate.
Chemical Property Profile of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate
Property Insights of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate
The XLogP value of 4.8003 indicates that 4-(Propan-2-yl)phenyl 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, 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propan-2-yl)phenyl 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 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate?
The CAS number of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate is 6986-74-9.
What is the molecular formula of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate?
The molecular formula of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate is C17H17BrO3.
What is the molecular weight of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate?
The molecular weight of 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate is 348.04 g/mol.
Where can I buy 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate?
You can request a quote for 4-(Propan-2-yl)phenyl 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 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propan-2-yl)phenyl 3-bromo-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.