![4-[(三氯乙酰基)氨基]苯甲酸 structure](/static/products/5617/56177-40-3.webp)
4-[(三氯乙酰基)氨基]苯甲酸
TL;DR: 4-[(三氯乙酰基)氨基]苯甲酸 (CAS 56177-40-3) is a chemical compound with molecular formula C9H6Cl3NO3 and molecular weight 280.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(三氯乙酰基)氨基]苯甲酸
4-[(2,2,2-trichloroacetyl)amino]benzoic acid
Also Known As: Benzoic acid, 4-[(trichloroacetyl)amino]-, 3-Nitro-N-trichloracetyl-anilin, 4-(trichloroacetamido)benzoic acid, 4-[(Trichloroacetyl)amino]benzoic acid, Benzoic acid, 4-((trichloroacetyl)amino)-
| Molecular Formula | C9H6Cl3NO3 |
|---|---|
| Molecular Weight | 280.94 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.9413 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 56177-40-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)C(Cl)(Cl)Cl |
| InChIKey | ZNHLAFVHZHAMJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(三氯乙酰基)氨基]苯甲酸 (CAS 56177-40-3), with molecular formula C9H6Cl3NO3 and molecular weight 280.94 g/mol. IUPAC: 4-[(2,2,2-trichloroacetyl)amino]benzoic acid.
Chemical Property Profile of 4-[(三氯乙酰基)氨基]苯甲酸
Property Insights of 4-[(三氯乙酰基)氨基]苯甲酸
The XLogP value of 3.2 indicates that 4-[(三氯乙酰基)氨基]苯甲酸 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-[(三氯乙酰基)氨基]苯甲酸. Following Lipinski's Rule of Five, 4-[(三氯乙酰基)氨基]苯甲酸 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-[(三氯乙酰基)氨基]苯甲酸?
The CAS number of 4-[(三氯乙酰基)氨基]苯甲酸 is 56177-40-3.
What is the molecular formula of 4-[(三氯乙酰基)氨基]苯甲酸?
The molecular formula of 4-[(三氯乙酰基)氨基]苯甲酸 is C9H6Cl3NO3.
What is the molecular weight of 4-[(三氯乙酰基)氨基]苯甲酸?
The molecular weight of 4-[(三氯乙酰基)氨基]苯甲酸 is 280.94 g/mol.
Where can I buy 4-[(三氯乙酰基)氨基]苯甲酸?
You can request a quote for 4-[(三氯乙酰基)氨基]苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(三氯乙酰基)氨基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[(三氯乙酰基)氨基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.