RefChem:1062609
TL;DR: RefChem:1062609 (CAS 114642-65-8) is a chemical compound with molecular formula C12H14N2O6S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
Also Known As: 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-methoxyphenyl)sulfonyl)hydrazide, Monomethyl (E)-2-butenedioate 2-((4-methoxyphenyl)sulfonyl)hydrazide, methyl (E)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate, RefChem:1062609
| Molecular Formula | C12H14N2O6S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | -0.2661 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.05725 |
| Heavy Atoms | 21 |
| Complexity | 636.21643 |
Chemical Identifiers
| CAS Number | 114642-65-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C(=O)OC |
Product Overview
RefChem:1062609 (CAS 114642-65-8), with molecular formula C12H14N2O6S and molecular weight 314.06 g/mol. IUPAC: methyl (E)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1062609
Property Insights of RefChem:1062609
The XLogP value of -0.2661 indicates that RefChem:1062609 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062609. Following Lipinski's Rule of Five, RefChem:1062609 has 2 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 RefChem:1062609?
The CAS number of RefChem:1062609 is 114642-65-8.
What is the molecular formula of RefChem:1062609?
The molecular formula of RefChem:1062609 is C12H14N2O6S.
What is the molecular weight of RefChem:1062609?
The molecular weight of RefChem:1062609 is 314.06 g/mol.
Where can I buy RefChem:1062609?
You can request a quote for RefChem:1062609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062609?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.