2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid
TL;DR: 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid (CAS 5282-33-7) is a chemical compound with molecular formula C12H9Br4NO3 and molecular weight 530.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid
Also Known As: 2,3,4,5-tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid, BIM-0016483.P001, 2,3,4,5-tetrabromo-6-(1-pyrrolidinylcarbonyl)benzoic acid
| Molecular Formula | C12H9Br4NO3 |
|---|---|
| Molecular Weight | 530.73 g/mol |
| LogP | 4.6708 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 530.73157 |
| Heavy Atoms | 20 |
| Complexity | 597.1006 |
Chemical Identifiers
| CAS Number | 5282-33-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O |
Product Overview
2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid (CAS 5282-33-7), with molecular formula C12H9Br4NO3 and molecular weight 530.73 g/mol. IUPAC: 2,3,4,5-tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid.
Chemical Property Profile of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid
Property Insights of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid
The XLogP value of 4.6708 indicates that 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid?
The CAS number of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid is 5282-33-7.
What is the molecular formula of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid?
The molecular formula of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid is C12H9Br4NO3.
What is the molecular weight of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid?
The molecular weight of 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid is 530.73 g/mol.
Where can I buy 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid?
You can request a quote for 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrabromo-6-(pyrrolidine-1-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.