3-Bromo-4-isopropoxy-5-methoxybenzoic acid
TL;DR: 3-Bromo-4-isopropoxy-5-methoxybenzoic acid (CAS 938243-10-8) is a chemical compound with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-methoxy-4-propan-2-yloxybenzoic acid
Also Known As: 3-bromo-4-isopropoxy-5-methoxybenzoic acid, 3-bromo-5-methoxy-4-(propan-2-yloxy)benzoic acid, 3-bromo-5-methoxy-4-propan-2-yloxybenzoic acid, 3-bromo-4-isopropoxy-5-methoxybenzoicacid, 3-bromo-4-isopropoxy-5-methoxy-benzoic acid
| Molecular Formula | C11H13BrO4 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.9431 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.99973 |
| Heavy Atoms | 16 |
| Complexity | 401.2162 |
Chemical Identifiers
| CAS Number | 938243-10-8 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1Br)C(=O)O)OC |
Product Overview
3-Bromo-4-isopropoxy-5-methoxybenzoic acid (CAS 938243-10-8), with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol. IUPAC: 3-bromo-5-methoxy-4-propan-2-yloxybenzoic acid.
Chemical Property Profile of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid
Property Insights of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid
The XLogP value of 2.9431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-isopropoxy-5-methoxybenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Bromo-4-isopropoxy-5-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-isopropoxy-5-methoxybenzoic acid has 1 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 3-Bromo-4-isopropoxy-5-methoxybenzoic acid?
The CAS number of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid is 938243-10-8.
What is the molecular formula of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid?
The molecular formula of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid is C11H13BrO4.
What is the molecular weight of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid?
The molecular weight of 3-Bromo-4-isopropoxy-5-methoxybenzoic acid is 288.00 g/mol.
Where can I buy 3-Bromo-4-isopropoxy-5-methoxybenzoic acid?
You can request a quote for 3-Bromo-4-isopropoxy-5-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-isopropoxy-5-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-isopropoxy-5-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.