N-(3,4-二氯苯基)丙酰胺酸
TL;DR: N-(3,4-二氯苯基)丙酰胺酸 (CAS 17722-36-0) 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.
N-(3,4-二氯苯基)丙酰胺酸
3-(3,4-dichloroanilino)-3-oxopropanoic acid
Also Known As: N-(3,4-dichlorophenyl)malonamic acid, 3-(3,4-dichloroanilino)-3-oxopropanoic acid, 2-[(3,4-dichlorophenyl)carbamoyl]acetic acid, N-(3,4-Dichlorophenyl)-malonamate, 2-((3,4-Dichlorophenyl)carbamoyl)acetic acid
| Molecular Formula | C9H7Cl2NO3 |
|---|---|
| Molecular Weight | 246.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.9803 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 17722-36-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CC(=O)O)Cl)Cl |
| InChIKey | JEFJREKVJYACNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,4-二氯苯基)丙酰胺酸 (CAS 17722-36-0), with molecular formula C9H7Cl2NO3 and molecular weight 246.98 g/mol. IUPAC: 3-(3,4-dichloroanilino)-3-oxopropanoic acid.
Chemical Property Profile of N-(3,4-二氯苯基)丙酰胺酸
Property Insights of N-(3,4-二氯苯基)丙酰胺酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-二氯苯基)丙酰胺酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-二氯苯基)丙酰胺酸. Following Lipinski's Rule of Five, N-(3,4-二氯苯基)丙酰胺酸 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 N-(3,4-二氯苯基)丙酰胺酸?
The CAS number of N-(3,4-二氯苯基)丙酰胺酸 is 17722-36-0.
What is the molecular formula of N-(3,4-二氯苯基)丙酰胺酸?
The molecular formula of N-(3,4-二氯苯基)丙酰胺酸 is C9H7Cl2NO3.
What is the molecular weight of N-(3,4-二氯苯基)丙酰胺酸?
The molecular weight of N-(3,4-二氯苯基)丙酰胺酸 is 246.98 g/mol.
Where can I buy N-(3,4-二氯苯基)丙酰胺酸?
You can request a quote for N-(3,4-二氯苯基)丙酰胺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-二氯苯基)丙酰胺酸?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-二氯苯基)丙酰胺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.