2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide
TL;DR: 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide (CAS 114642-63-6) is a chemical compound with molecular formula C11H11BrN2O5S and molecular weight 361.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
Also Known As: Monomethyl (E)-2-butenedioate 2-((4-bromophenyl)sulfonyl)hydrazide, 2-BUTENEDIOIC ACID, (E)-, MONOMETHYL ESTER, 2-((4-BROMOPHENYL)SULFONYL)HYDRAZIDE, methyl (E)-4-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate, RefChem:1062607
| Molecular Formula | C11H11BrN2O5S |
|---|---|
| Molecular Weight | 361.96 g/mol |
| LogP | 0.4878 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.9572 |
| Heavy Atoms | 20 |
| Complexity | 624.7185 |
Chemical Identifiers
| CAS Number | 114642-63-6 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br |
Product Overview
2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide (CAS 114642-63-6), with molecular formula C11H11BrN2O5S and molecular weight 361.96 g/mol. IUPAC: methyl (E)-4-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate.
Chemical Property Profile of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide
Property Insights of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide
The XLogP value of 0.4878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide. Following Lipinski's Rule of Five, 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide 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 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide?
The CAS number of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide is 114642-63-6.
What is the molecular formula of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide?
The molecular formula of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide is C11H11BrN2O5S.
What is the molecular weight of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide?
The molecular weight of 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide is 361.96 g/mol.
Where can I buy 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide?
You can request a quote for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)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-bromophenyl)sulfonyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-bromophenyl)sulfonyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.