2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide
TL;DR: 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide (CAS 114642-66-9) is a chemical compound with molecular formula C12H12N2O7S and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]sulfamoyl]benzoic acid
Also Known As: 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide, Monomethyl (E)-2-butenedioate 2-((4-carboxyphenyl)sulfonyl)hydrazide, 4-[[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]sulfamoyl]benzoic acid, RefChem:1062608
| Molecular Formula | C12H12N2O7S |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | -0.5765 |
| Topological Polar Surface Area | 138.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.03653 |
| Heavy Atoms | 22 |
| Complexity | 707.49524 |
Chemical Identifiers
| CAS Number | 114642-66-9 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
Product Overview
2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide (CAS 114642-66-9), with molecular formula C12H12N2O7S and molecular weight 328.04 g/mol. IUPAC: 4-[[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]sulfamoyl]benzoic acid.
Chemical Property Profile of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide
Property Insights of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide
The XLogP value of -0.5765 indicates that 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide. Following Lipinski's Rule of Five, 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide has 3 hydrogen bond donor(s) and 6 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 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide?
The CAS number of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide is 114642-66-9.
What is the molecular formula of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide?
The molecular formula of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide is C12H12N2O7S.
What is the molecular weight of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide?
The molecular weight of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide is 328.04 g/mol.
Where can I buy 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide?
You can request a quote for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-carboxyphenyl)sulfonyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.