5-(乙酰氨基)-2,4-二氯苯甲酸
TL;DR: 5-(乙酰氨基)-2,4-二氯苯甲酸 (CAS 5098-17-9) is a chemical compound with molecular formula C9H7Cl2NO3 and molecular weight 246.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(乙酰氨基)-2,4-二氯苯甲酸
5-acetamido-2,4-dichlorobenzoic acid
Also Known As: 5-(Acetylamino)-2,4-dichlorobenzoic acid, 5-Acetamido-2,4-dichlorobenzoic acid, 2,4-DICHLORO-5-ACETAMIDOBENZOIC ACID, 5-acetamido-2,4-dichloro-benzoic acid, 5-(Acetylamino)-2,4-dichlorobenzoic acid #
| Molecular Formula | C9H7Cl2NO3 |
|---|---|
| Molecular Weight | 246.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.9803 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 5098-17-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1)C(=O)O)Cl)Cl |
| InChIKey | UJJWZLONCUSGTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(乙酰氨基)-2,4-二氯苯甲酸 (CAS 5098-17-9), with molecular formula C9H7Cl2NO3 and molecular weight 246.98 g/mol. IUPAC: 5-acetamido-2,4-dichlorobenzoic acid.
Chemical Property Profile of 5-(乙酰氨基)-2,4-二氯苯甲酸
Property Insights of 5-(乙酰氨基)-2,4-二氯苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(乙酰氨基)-2,4-二氯苯甲酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(乙酰氨基)-2,4-二氯苯甲酸. Following Lipinski's Rule of Five, 5-(乙酰氨基)-2,4-二氯苯甲酸 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 5-(乙酰氨基)-2,4-二氯苯甲酸?
The CAS number of 5-(乙酰氨基)-2,4-二氯苯甲酸 is 5098-17-9.
What is the molecular formula of 5-(乙酰氨基)-2,4-二氯苯甲酸?
The molecular formula of 5-(乙酰氨基)-2,4-二氯苯甲酸 is C9H7Cl2NO3.
What is the molecular weight of 5-(乙酰氨基)-2,4-二氯苯甲酸?
The molecular weight of 5-(乙酰氨基)-2,4-二氯苯甲酸 is 246.98 g/mol.
Where can I buy 5-(乙酰氨基)-2,4-二氯苯甲酸?
You can request a quote for 5-(乙酰氨基)-2,4-二氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(乙酰氨基)-2,4-二氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(乙酰氨基)-2,4-二氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.