4-(4-bromobutoxy)benzoic Acid
TL;DR: 4-(4-bromobutoxy)benzoic Acid (CAS 88931-96-8) is a chemical compound with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromobutoxy)benzoic acid
Also Known As: 4-(4-bromobutoxy)benzoic Acid, Benzoic acid, 4-(4-bromobutoxy)-, 4-(4-BROMO-BUTOXY)-BENZOIC ACID
| Molecular Formula | C11H13BrO3 |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | 2.9387 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.00482 |
| Heavy Atoms | 15 |
| Complexity | 308.114 |
Chemical Identifiers
| CAS Number | 88931-96-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OCCCCBr |
Product Overview
4-(4-bromobutoxy)benzoic Acid (CAS 88931-96-8), with molecular formula C11H13BrO3 and molecular weight 272.00 g/mol. IUPAC: 4-(4-bromobutoxy)benzoic acid.
Chemical Property Profile of 4-(4-bromobutoxy)benzoic Acid
Property Insights of 4-(4-bromobutoxy)benzoic Acid
The XLogP value of 2.9387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-bromobutoxy)benzoic Acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(4-bromobutoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromobutoxy)benzoic Acid has 1 hydrogen bond donor(s) and 2 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-(4-bromobutoxy)benzoic Acid?
The CAS number of 4-(4-bromobutoxy)benzoic Acid is 88931-96-8.
What is the molecular formula of 4-(4-bromobutoxy)benzoic Acid?
The molecular formula of 4-(4-bromobutoxy)benzoic Acid is C11H13BrO3.
What is the molecular weight of 4-(4-bromobutoxy)benzoic Acid?
The molecular weight of 4-(4-bromobutoxy)benzoic Acid is 272.00 g/mol.
Where can I buy 4-(4-bromobutoxy)benzoic Acid?
You can request a quote for 4-(4-bromobutoxy)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromobutoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromobutoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.