Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate
TL;DR: Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate (CAS 72306-57-1) is a chemical compound with molecular formula C19H27N3O8S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Also Known As: Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate, (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
| Molecular Formula | C19H27N3O8S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 0.2685 |
| Topological Polar Surface Area | 176.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.1519 |
| Heavy Atoms | 31 |
| Complexity | 914.0806 |
Chemical Identifiers
| CAS Number | 72306-57-1 |
|---|---|
| SMILES | CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate (CAS 72306-57-1), with molecular formula C19H27N3O8S and molecular weight 457.15 g/mol. IUPAC: (E)-but-2-enedioic acid;N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide.
Chemical Property Profile of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate
Property Insights of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate
The XLogP value of 0.2685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate. The TPSA of 176.33 Ų indicates high polarity, suggesting Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate has 4 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 Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate?
The CAS number of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate is 72306-57-1.
What is the molecular formula of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate?
The molecular formula of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate is C19H27N3O8S.
What is the molecular weight of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate?
The molecular weight of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate is 457.15 g/mol.
Where can I buy Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate?
You can request a quote for Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, (2Z)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.