![5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid structure](/static/products/6102/610261-30-8.webp)
5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid
TL;DR: 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid (CAS 610261-30-8) is a chemical compound with molecular formula C17H13N5O5S and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid, 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalic acid, 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic Acid, 5-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid, 5-({2-[(1-PHENYL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]ACETYL}AMINO)ISOPHTHALIC ACID
| Molecular Formula | C17H13N5O5S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 1.7895 |
| Topological Polar Surface Area | 147.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.06375 |
| Heavy Atoms | 28 |
| Complexity | 1005.1772 |
Chemical Identifiers
| CAS Number | 610261-30-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O |
Product Overview
5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid (CAS 610261-30-8), with molecular formula C17H13N5O5S and molecular weight 399.06 g/mol. IUPAC: 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid
Property Insights of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid
The XLogP value of 1.7895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid. The TPSA of 147.3 Ų indicates high polarity, suggesting 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid has 3 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 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid?
The CAS number of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid is 610261-30-8.
What is the molecular formula of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid?
The molecular formula of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid is C17H13N5O5S.
What is the molecular weight of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid?
The molecular weight of 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid is 399.06 g/mol.
Where can I buy 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid?
You can request a quote for 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}amino)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.