3-( -4-phenoxy-5-( benzoicacid
TL;DR: 3-( -4-phenoxy-5-( benzoicacid (CAS 76557-33-0) is a chemical compound with molecular formula C26H26N2O5S2 and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid
Also Known As: 3-( -4-phenoxy-5-( benzoicacid, 3-((2,5-Diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)benzoic acid, Benzoic acid, 3-((2,5-diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-, 3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid, 3-(2,5-Diethyl-1H-pyrrole-1-sulfonyl)-4-phenoxy-5-{[(thiophen-3-yl)methyl]amino}benzoic acid
| Molecular Formula | C26H26N2O5S2 |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 6.014 |
| Topological Polar Surface Area | 97.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.12833 |
| Heavy Atoms | 35 |
| Complexity | 1404.6652 |
Chemical Identifiers
| CAS Number | 76557-33-0 |
|---|---|
| SMILES | CCC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2OC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)CC |
Product Overview
3-( -4-phenoxy-5-( benzoicacid (CAS 76557-33-0), with molecular formula C26H26N2O5S2 and molecular weight 510.13 g/mol. IUPAC: 3-(2,5-diethylpyrrol-1-yl)sulfonyl-4-phenoxy-5-(thiophen-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 3-( -4-phenoxy-5-( benzoicacid
Property Insights of 3-( -4-phenoxy-5-( benzoicacid
The XLogP value of 6.014 indicates that 3-( -4-phenoxy-5-( benzoicacid 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 3-( -4-phenoxy-5-( benzoicacid. Following Lipinski's Rule of Five, 3-( -4-phenoxy-5-( benzoicacid 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 3-( -4-phenoxy-5-( benzoicacid?
The CAS number of 3-( -4-phenoxy-5-( benzoicacid is 76557-33-0.
What is the molecular formula of 3-( -4-phenoxy-5-( benzoicacid?
The molecular formula of 3-( -4-phenoxy-5-( benzoicacid is C26H26N2O5S2.
What is the molecular weight of 3-( -4-phenoxy-5-( benzoicacid?
The molecular weight of 3-( -4-phenoxy-5-( benzoicacid is 510.13 g/mol.
Where can I buy 3-( -4-phenoxy-5-( benzoicacid?
You can request a quote for 3-( -4-phenoxy-5-( benzoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-( -4-phenoxy-5-( benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 3-( -4-phenoxy-5-( benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.