Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate
TL;DR: Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate (CAS 32643-00-8) is a chemical compound with molecular formula C21H28N2O5S and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate
Also Known As: Bumetanide Butyl Ester, Bumetanide EP Impurity C, butyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate, Bumetanide Impurity C, Bumetanide-d5ButylEster
| Molecular Formula | C21H28N2O5S |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 420.1719 |
| Heavy Atoms | 29 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 32643-00-8 |
|---|---|
| SMILES | CCCCNC1=C(C(=CC(=C1)C(=O)OCCCC)S(=O)(=O)N)OC2=CC=CC=C2 |
| InChIKey | FUBXAOXPLXHBPG-UHFFFAOYSA-N |
Product Overview
Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate (CAS 32643-00-8), with molecular formula C21H28N2O5S and molecular weight 420.17 g/mol. IUPAC: butyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate.
Chemical Property Profile of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate
Property Insights of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate
The XLogP value of 4.4 indicates that Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate. Following Lipinski's Rule of Five, Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate has 2 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 Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate?
The CAS number of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate is 32643-00-8.
What is the molecular formula of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate?
The molecular formula of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate is C21H28N2O5S.
What is the molecular weight of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate?
The molecular weight of Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate is 420.17 g/mol.
Where can I buy Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate?
You can request a quote for Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.