2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate (CAS 889957-99-7) is a chemical compound with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate
Also Known As: 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate, AT-057/43468132, [2-(4-chlorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate, 2-(4-chlorophenyl)-2-oxoethyl 3-(1H-tetrazol-1-yl)propanoate, A3953/0168395
| Molecular Formula | C12H11ClN4O3 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 1.1427 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.05197 |
| Heavy Atoms | 20 |
| Complexity | 583.2597 |
Chemical Identifiers
| CAS Number | 889957-99-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)CCN2C=NN=N2)Cl |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate (CAS 889957-99-7), with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate
The XLogP value of 1.1427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate has 0 hydrogen bond donor(s) and 6 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-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate is 889957-99-7.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate is C12H11ClN4O3.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate is 294.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl 1H-tetrazole-1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.