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Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate
TL;DR: Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate (CAS 5448-67-9) is a chemical compound with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate
Also Known As: ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate, Ethyl 3-(((4-aminophenyl)sulfonyl)hydrazono)butanoate, Butanoic acid,3-[2-[(4-aminophenyl)sulfonyl]hydrazinylidene]-, ethyl ester
| Molecular Formula | C12H17N3O4S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.09396 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 5448-67-9 |
|---|---|
| SMILES | CCOC(=O)CC(=NNS(=O)(=O)C1=CC=C(C=C1)N)C |
| InChIKey | OHLFTKZXQHPAJP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate (CAS 5448-67-9), with molecular formula C12H17N3O4S and molecular weight 299.09 g/mol. IUPAC: ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate.
Chemical Property Profile of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate
Property Insights of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate. Following Lipinski's Rule of Five, Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate has 2 hydrogen bond donor(s) and 7 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 Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate?
The CAS number of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate is 5448-67-9.
What is the molecular formula of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate?
The molecular formula of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate is C12H17N3O4S.
What is the molecular weight of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate?
The molecular weight of Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate is 299.09 g/mol.
Where can I buy Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate?
You can request a quote for Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.