3,3',4,5,5',6-Hexachlorophthalanilic acid
TL;DR: 3,3',4,5,5',6-Hexachlorophthalanilic acid (CAS 77106-13-9) is a chemical compound with molecular formula C14H5Cl6NO3 and molecular weight 444.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
Also Known As: 3,3',4,5,5',6-hexachlorophthalanilic acid, 2,3,4,5-tetrachloro-6-[(3,5-dichlorophenyl)carbamoyl]benzoic Acid, 666-414-4, RefChem:484848
| Molecular Formula | C14H5Cl6NO3 |
|---|---|
| Molecular Weight | 444.84 g/mol |
| LogP | 6.5575 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.84006 |
| Heavy Atoms | 24 |
| Complexity | 848.0688 |
Chemical Identifiers
| CAS Number | 77106-13-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
3,3',4,5,5',6-Hexachlorophthalanilic acid (CAS 77106-13-9), with molecular formula C14H5Cl6NO3 and molecular weight 444.84 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-[(3,5-dichlorophenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 3,3',4,5,5',6-Hexachlorophthalanilic acid
Property Insights of 3,3',4,5,5',6-Hexachlorophthalanilic acid
The XLogP value of 6.5575 indicates that 3,3',4,5,5',6-Hexachlorophthalanilic 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 3,3',4,5,5',6-Hexachlorophthalanilic acid. Following Lipinski's Rule of Five, 3,3',4,5,5',6-Hexachlorophthalanilic 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 3,3',4,5,5',6-Hexachlorophthalanilic acid?
The CAS number of 3,3',4,5,5',6-Hexachlorophthalanilic acid is 77106-13-9.
What is the molecular formula of 3,3',4,5,5',6-Hexachlorophthalanilic acid?
The molecular formula of 3,3',4,5,5',6-Hexachlorophthalanilic acid is C14H5Cl6NO3.
What is the molecular weight of 3,3',4,5,5',6-Hexachlorophthalanilic acid?
The molecular weight of 3,3',4,5,5',6-Hexachlorophthalanilic acid is 444.84 g/mol.
Where can I buy 3,3',4,5,5',6-Hexachlorophthalanilic acid?
You can request a quote for 3,3',4,5,5',6-Hexachlorophthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',4,5,5',6-Hexachlorophthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3',4,5,5',6-Hexachlorophthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.