![2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid structure](/static/products/6966/696618-98-1.webp)
2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid
TL;DR: 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid (CAS 696618-98-1) is a chemical compound with molecular formula C17H13N5O5 and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]benzoic acid
Also Known As: A3602/0152632, 2-(2-(5-(benzo[d][1,3]dioxol-5-yl)-2H-tetrazol-2-yl)acetamido)benzoic acid, 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid, 2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]benzoic acid, 2-({2-[5-(1,3-BENZODIOXOL-5-YL)-2H-1,2,3,4-TETRAAZOL-2-YL]ACETYL}AMINO)BENZOIC ACID
| Molecular Formula | C17H13N5O5 |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 1.4057 |
| Topological Polar Surface Area | 128.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09167 |
| Heavy Atoms | 27 |
| Complexity | 1032.0585 |
Chemical Identifiers
| CAS Number | 696618-98-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC(=O)NC4=CC=CC=C4C(=O)O |
Product Overview
2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid (CAS 696618-98-1), with molecular formula C17H13N5O5 and molecular weight 367.09 g/mol. IUPAC: 2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid
Property Insights of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid
The XLogP value of 1.4057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid. The TPSA of 128.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid 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 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid?
The CAS number of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid is 696618-98-1.
What is the molecular formula of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid?
The molecular formula of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid is C17H13N5O5.
What is the molecular weight of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid?
The molecular weight of 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid is 367.09 g/mol.
Where can I buy 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid?
You can request a quote for 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[5-(1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.