1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester
TL;DR: 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester (CAS 889955-34-4) is a chemical compound with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate
Also Known As: [2-(3-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate|A3951/0168285|2-(3-methoxyphenyl)-2-oxoethyl 3-(1H-tetrazol-1-yl)propanoate|1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester|2-(3-METHOXYPHENYL)-2-OXOETHYL 3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANOATE|BVDHUENURDZPFU-UHFFFAOYSA-N
| Molecular Formula | C13H14N4O4 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 0.4979 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.1015 |
| Heavy Atoms | 21 |
| Complexity | 612.3936 |
Chemical Identifiers
| CAS Number | 889955-34-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)COC(=O)CCN2C=NN=N2 |
Product Overview
1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester (CAS 889955-34-4), with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol. IUPAC: [2-(3-methoxyphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate.
Chemical Property Profile of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester
Property Insights of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester
The XLogP value of 0.4979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester. Following Lipinski's Rule of Five, 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester has 0 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 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester?
The CAS number of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester is 889955-34-4.
What is the molecular formula of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester?
The molecular formula of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester is C13H14N4O4.
What is the molecular weight of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester?
The molecular weight of 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester is 290.10 g/mol.
Where can I buy 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester?
You can request a quote for 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(3-methoxyphenyl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.