Piretanide EP Impurity B
TL;DR: Piretanide EP Impurity B (CAS 60376-76-3) is a chemical compound with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylaminomethylideneamino)sulfonyl-4-phenoxy-5-pyrrolidin-1-ylbenzoate
Also Known As: Piretanide EP Impurity B, Methyl 3-((((dimethylamino)methylene)amino)sulphonyl)-4-phenoxy-5-(1-pyrrolidinyl)benzoate, methyl3-[[[methylene]amino]sulphonyl]-4-phenoxy-5- benzoate, methyl 3-(dimethylaminomethylideneamino)sulfonyl-4-phenoxy-5-pyrrolidin-1-ylbenzoate, (E)-methyl 3-(N-((dimethylamino)methylene)sulfamoyl)-4-phenoxy-5-(pyrrolidin-1-yl)benzoate
| Molecular Formula | C21H25N3O5S |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.1515 |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 60376-76-3 |
|---|---|
| SMILES | CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)N3CCCC3)C(=O)OC |
| InChIKey | HBDOTWMVKQPCIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piretanide EP Impurity B (CAS 60376-76-3), with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol. IUPAC: methyl 3-(dimethylaminomethylideneamino)sulfonyl-4-phenoxy-5-pyrrolidin-1-ylbenzoate.
Chemical Property Profile of Piretanide EP Impurity B
Property Insights of Piretanide EP Impurity B
The XLogP value of 3.1 indicates that Piretanide EP Impurity B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Piretanide EP Impurity B. Following Lipinski's Rule of Five, Piretanide EP Impurity B has 0 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 Piretanide EP Impurity B?
The CAS number of Piretanide EP Impurity B is 60376-76-3.
What is the molecular formula of Piretanide EP Impurity B?
The molecular formula of Piretanide EP Impurity B is C21H25N3O5S.
What is the molecular weight of Piretanide EP Impurity B?
The molecular weight of Piretanide EP Impurity B is 431.15 g/mol.
Where can I buy Piretanide EP Impurity B?
You can request a quote for Piretanide EP Impurity B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piretanide EP Impurity B?
Yes, KEHONG BIO provides custom synthesis services for Piretanide EP Impurity B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.