3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid
TL;DR: 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid (CAS 696649-41-9) is a chemical compound with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid
Also Known As: 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid, ZERO/005106, 3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid, 3-(4-isopropoxyphenyl)-3-(tetrazol-1-yl)propanoic acid, 3-(4-Isopropoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
| Molecular Formula | C13H16N4O3 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 1.5244 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.12225 |
| Heavy Atoms | 20 |
| Complexity | 551.50507 |
Chemical Identifiers
| CAS Number | 696649-41-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2 |
Product Overview
3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid (CAS 696649-41-9), with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol. IUPAC: 3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid
Property Insights of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid
The XLogP value of 1.5244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid. The TPSA of 90.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic 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 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid?
The CAS number of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid is 696649-41-9.
What is the molecular formula of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid?
The molecular formula of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid is C13H16N4O3.
What is the molecular weight of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid?
The molecular weight of 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid is 276.12 g/mol.
Where can I buy 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid?
You can request a quote for 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-isopropoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.