![Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate structure](/static/products/1146/114642-64-7.webp)
Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
TL;DR: Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate (CAS 114642-64-7) is a chemical compound with molecular formula C11H11N3O7S and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
Also Known As: 2-Butenedioic acid(2E)-, monomethyl ester, 2-[(4-nitrophenyl)sulfonyl]hydrazide (9CI), Monomethyl (E)-2-butenedioate 2-((4-nitrophenyl)sulfonyl)hydrazide, 2-BUTENEDIOIC ACID, (E)-, MONOMETHYL ESTER, 2-((4-NITROPHENYL)SULFONYL)HYDRAZIDE
| Molecular Formula | C11H11N3O7S |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.03177 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 114642-64-7 |
|---|---|
| SMILES | COC(=O)C=CC(=O)NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IKBUVISYYKSKJT-UHFFFAOYSA-N |
Product Overview
Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate (CAS 114642-64-7), with molecular formula C11H11N3O7S and molecular weight 329.03 g/mol. IUPAC: methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate.
Chemical Property Profile of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
Property Insights of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate. The TPSA of 156.0 Ų indicates high polarity, suggesting Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate has 2 hydrogen bond donor(s) and 8 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-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate?
The CAS number of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate is 114642-64-7.
What is the molecular formula of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate?
The molecular formula of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate is C11H11N3O7S.
What is the molecular weight of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate?
The molecular weight of Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate is 329.03 g/mol.
Where can I buy Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate?
You can request a quote for Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate 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-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.