4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
TL;DR: 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid (CAS 18100-07-7) is a chemical compound with molecular formula C19H20N4O2 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(5-butyltetrazol-1-yl)methyl]phenyl]benzoic acid
Also Known As: 5-Bu-Cbt, 5-butyl-1-(4- tetrazole, 5-Butyl-1-(4-(2'-carboxyphenyl)benzyl)tetrazole, 1-(4-(2'-Carboxyphenyl)benzyl)-5-butyltetrazole, 2-[4-[(5-butyltetrazol-1-yl)methyl]phenyl]benzoic acid
| Molecular Formula | C19H20N4O2 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.15863 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 18100-07-7 |
|---|---|
| SMILES | CCCCC1=NN=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O |
| InChIKey | XGAJCHJIFNVEPB-UHFFFAOYSA-N |
Product Overview
4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid (CAS 18100-07-7), with molecular formula C19H20N4O2 and molecular weight 336.16 g/mol. IUPAC: 2-[4-[(5-butyltetrazol-1-yl)methyl]phenyl]benzoic acid.
Chemical Property Profile of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
Property Insights of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
The XLogP value of 4.0 indicates that 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid. Following Lipinski's Rule of Five, 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid?
The CAS number of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid is 18100-07-7.
What is the molecular formula of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid?
The molecular formula of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid is C19H20N4O2.
What is the molecular weight of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid?
The molecular weight of 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid is 336.16 g/mol.
Where can I buy 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid?
You can request a quote for 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-((5-Butyl-1H-tetrazol-1-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.