3,4,5,6-Tetrabromophthalanilic acid
TL;DR: 3,4,5,6-Tetrabromophthalanilic acid (CAS 80992-21-8) is a chemical compound with molecular formula C14H7Br4NO3 and molecular weight 552.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrabromo-6-(phenylcarbamoyl)benzoic acid
Also Known As: 3,4,5,6-TETRABROMOPHTHALANILIC ACID, tetrabromophthalic acid N-phenylimide, 2,3,4,5-tetrabromo-6-(phenylcarbamoyl)benzoic Acid, 666-149-4, RefChem:485663
| Molecular Formula | C14H7Br4NO3 |
|---|---|
| Molecular Weight | 552.72 g/mol |
| LogP | 5.6871 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 552.71594 |
| Heavy Atoms | 22 |
| Complexity | 762.6735 |
Chemical Identifiers
| CAS Number | 80992-21-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O |
Product Overview
3,4,5,6-Tetrabromophthalanilic acid (CAS 80992-21-8), with molecular formula C14H7Br4NO3 and molecular weight 552.72 g/mol. IUPAC: 2,3,4,5-tetrabromo-6-(phenylcarbamoyl)benzoic acid.
Chemical Property Profile of 3,4,5,6-Tetrabromophthalanilic acid
Property Insights of 3,4,5,6-Tetrabromophthalanilic acid
The XLogP value of 5.6871 indicates that 3,4,5,6-Tetrabromophthalanilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5,6-Tetrabromophthalanilic acid. Following Lipinski's Rule of Five, 3,4,5,6-Tetrabromophthalanilic acid has 2 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 3,4,5,6-Tetrabromophthalanilic acid?
The CAS number of 3,4,5,6-Tetrabromophthalanilic acid is 80992-21-8.
What is the molecular formula of 3,4,5,6-Tetrabromophthalanilic acid?
The molecular formula of 3,4,5,6-Tetrabromophthalanilic acid is C14H7Br4NO3.
What is the molecular weight of 3,4,5,6-Tetrabromophthalanilic acid?
The molecular weight of 3,4,5,6-Tetrabromophthalanilic acid is 552.72 g/mol.
Where can I buy 3,4,5,6-Tetrabromophthalanilic acid?
You can request a quote for 3,4,5,6-Tetrabromophthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrabromophthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrabromophthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.