![benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 structure](/static/products/6916/69164-77-8.webp)
benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2
TL;DR: benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 (CAS 69164-77-8) is a chemical compound with molecular formula C25H29N3O9S and molecular weight 547.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2, BENZYL 4-[(3-ETHOXYCARBONYLPROP-2-ENOYLAMINO)SULFAMOYL]-2-PHENYLMETHOXYCARBONYLAMINO-BUTANOATE, benzyl 4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C25H29N3O9S |
|---|---|
| Molecular Weight | 547.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 547.1625 |
| Heavy Atoms | 38 |
| Complexity | 906.0 |
Chemical Identifiers
| CAS Number | 69164-77-8 |
|---|---|
| SMILES | CCOC(=O)C=CC(=O)NNS(=O)(=O)CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | OTCWDINMJTZLGX-UHFFFAOYSA-N |
Product Overview
benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 (CAS 69164-77-8), with molecular formula C25H29N3O9S and molecular weight 547.16 g/mol. IUPAC: benzyl 4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2
Property Insights of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2. The TPSA of 175.0 Ų indicates high polarity, suggesting benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2?
The CAS number of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 is 69164-77-8.
What is the molecular formula of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2?
The molecular formula of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 is C25H29N3O9S.
What is the molecular weight of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2?
The molecular weight of benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 is 547.16 g/mol.
Where can I buy benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2?
You can request a quote for benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.