![4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid structure](/static/products/331/331830-62-7.png)
4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid
TL;DR: 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid (CAS 331830-62-7) is a chemical compound with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid
Also Known As: 4,5-dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid, 2-[N-(3,4-dimethylphenyl)carbamoyl]-4,5-dichlorobenzoic acid, 4,5-dichloro-2-[(3,4-dimethylanilino)carbonyl]benzoic acid, 4,5-DICHLORO-N-(3,4-DIMETHYL-PHENYL)-PHTHALAMIC ACID
| Molecular Formula | C16H13Cl2NO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.02725 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 331830-62-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl)C |
| InChIKey | MJXWRLYQSQTYDW-UHFFFAOYSA-N |
Product Overview
4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid (CAS 331830-62-7), with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol. IUPAC: 4,5-dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid
Property Insights of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid
The XLogP value of 4.3 indicates that 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic 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 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid has 2 hydrogen bond donor(s) and 3 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 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid?
The CAS number of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid is 331830-62-7.
What is the molecular formula of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid?
The molecular formula of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid is C16H13Cl2NO3.
What is the molecular weight of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid?
The molecular weight of 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid is 337.03 g/mol.
Where can I buy 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid?
You can request a quote for 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.