Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate
TL;DR: Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate (CAS 357267-31-3) is a chemical compound with molecular formula C17H13Cl2N3O4 and molecular weight 393.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Also Known As: METHYL 4-(2-((3,4-DICHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)BENZOATE, Methyl 4-((2-(2-((3,4-dichlorophenyl)amino)-2-oxoacetyl)hydrazono)methyl)benzoate, Methyl 4-[[[(3,4-dichlorophenyl)carbamoylformyl]hydrazinylidene]methyl]benzoate, 647-404-9, RefChem:815841
| Molecular Formula | C17H13Cl2N3O4 |
|---|---|
| Molecular Weight | 393.03 g/mol |
| LogP | 2.8688 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.02832 |
| Heavy Atoms | 26 |
| Complexity | 866.81177 |
Chemical Identifiers
| CAS Number | 357267-31-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate (CAS 357267-31-3), with molecular formula C17H13Cl2N3O4 and molecular weight 393.03 g/mol. IUPAC: methyl 4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate
Property Insights of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate
The XLogP value of 2.8688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate has 2 hydrogen bond donor(s) and 5 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 Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate?
The CAS number of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate is 357267-31-3.
What is the molecular formula of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate?
The molecular formula of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate is C17H13Cl2N3O4.
What is the molecular weight of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate?
The molecular weight of Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate is 393.03 g/mol.
Where can I buy Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate?
You can request a quote for Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.