3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid
TL;DR: 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid (CAS 77105-98-7) is a chemical compound with molecular formula C15H9Cl4NO3 and molecular weight 390.93 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-methylphenyl)carbamoyl]benzoic acid
Also Known As: 3'-METHYL-3,4,5,6-TETRACHLOROPHTHALANILIC ACID, 2,3,4,5-tetrachloro-6-[(3-methylphenyl)carbamoyl]benzoic Acid, 660-105-8, RefChem:484705
| Molecular Formula | C15H9Cl4NO3 |
|---|---|
| Molecular Weight | 390.93 g/mol |
| LogP | 5.55912 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.93365 |
| Heavy Atoms | 23 |
| Complexity | 820.8547 |
Chemical Identifiers
| CAS Number | 77105-98-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid (CAS 77105-98-7), with molecular formula C15H9Cl4NO3 and molecular weight 390.93 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-[(3-methylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid
Property Insights of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid
The XLogP value of 5.55912 indicates that 3'-Methyl-3,4,5,6-tetrachlorophthalanilic 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'-Methyl-3,4,5,6-tetrachlorophthalanilic acid. Following Lipinski's Rule of Five, 3'-Methyl-3,4,5,6-tetrachlorophthalanilic 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'-Methyl-3,4,5,6-tetrachlorophthalanilic acid?
The CAS number of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid is 77105-98-7.
What is the molecular formula of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid?
The molecular formula of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid is C15H9Cl4NO3.
What is the molecular weight of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid?
The molecular weight of 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid is 390.93 g/mol.
Where can I buy 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid?
You can request a quote for 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-Methyl-3,4,5,6-tetrachlorophthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.