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Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
TL;DR: Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate (CAS 91139-13-8) is a chemical compound with molecular formula C10H19Cl2N3O4S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
Also Known As: ethyl (3E)-3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
| Molecular Formula | C10H19Cl2N3O4S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 347.04733 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 91139-13-8 |
|---|---|
| SMILES | CCOC(=O)CC(=NNS(=O)(=O)N(CCCl)CCCl)C |
| InChIKey | QPZYFKJNYKCIEX-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate (CAS 91139-13-8), with molecular formula C10H19Cl2N3O4S and molecular weight 347.05 g/mol. IUPAC: ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate.
Chemical Property Profile of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
Property Insights of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate. Following Lipinski's Rule of Five, Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate has 1 hydrogen bond donor(s) and 7 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 Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate?
The CAS number of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate is 91139-13-8.
What is the molecular formula of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate?
The molecular formula of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate is C10H19Cl2N3O4S.
What is the molecular weight of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate?
The molecular weight of Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate is 347.05 g/mol.
Where can I buy Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate?
You can request a quote for Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.