Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-
TL;DR: Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- (CAS 655234-74-5) 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.
2-bromo-4-methoxy-5-propan-2-yloxybenzoic acid
Also Known As: Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-, 2-bromo-4-methoxy-5-propan-2-yloxybenzoic acid, AE-641/00567060, AE-641/30608022, 2-BROMO-5-ISOPROPOXY-4-METHOXYBENZOIC 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 | 655234-74-5 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)C(=O)O)Br)OC |
Product Overview
Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- (CAS 655234-74-5), with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol. IUPAC: 2-bromo-4-methoxy-5-propan-2-yloxybenzoic acid.
Chemical Property Profile of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-
Property Insights of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-
The XLogP value of 2.9431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-. With a topological polar surface area (TPSA) of 55.76 Ų, Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- 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 Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-?
The CAS number of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- is 655234-74-5.
What is the molecular formula of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-?
The molecular formula of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- is C11H13BrO4.
What is the molecular weight of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-?
The molecular weight of Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- is 288.00 g/mol.
Where can I buy Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-?
You can request a quote for Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.