Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-
TL;DR: Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- (CAS 76557-35-2) is a chemical compound with molecular formula C25H24N2O5S2 and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethyl-5-methylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid
Also Known As: Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-, 3-(2-ethyl-5-methylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid, 3-(2-Ethyl-5-methyl-1H-pyrrole-1-sulfonyl)-4-phenoxy-5-{[(thiophen-3-yl)methyl]amino}benzoic acid, Benzoic acid,3-[(2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl]-4-phenoxy-5-[(3-thienylmethyl)amino]-, RefChem:327115
| Molecular Formula | C25H24N2O5S2 |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 5.76002 |
| Topological Polar Surface Area | 97.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.11267 |
| Heavy Atoms | 34 |
| Complexity | 1409.2744 |
Chemical Identifiers
| CAS Number | 76557-35-2 |
|---|---|
| SMILES | CCC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)C |
Product Overview
Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- (CAS 76557-35-2), with molecular formula C25H24N2O5S2 and molecular weight 496.11 g/mol. IUPAC: 3-(2-ethyl-5-methylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-
Property Insights of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-
The XLogP value of 5.76002 indicates that Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-?
The CAS number of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- is 76557-35-2.
What is the molecular formula of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-?
The molecular formula of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- is C25H24N2O5S2.
What is the molecular weight of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-?
The molecular weight of Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- is 496.11 g/mol.
Where can I buy Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-?
You can request a quote for Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.