![ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate structure](/static/products/896/896811-63-5.png)
ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate
TL;DR: ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate (CAS 896811-63-5) is a chemical compound with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-methyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate
Also Known As: EiM07-19625, ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate, ethyl 3-[4-methyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate, Ethyl 3-(7-((1H-tetrazol-5-yl)methoxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoate, ETHYL 3-{4-METHYL-2-OXO-7-[(1H-1,2,3,4-TETRAZOL-5-YL)METHOXY]-2H-CHROMEN-3-YL}PROPANOATE
| Molecular Formula | C17H18N4O5 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.12772 |
| Heavy Atoms | 26 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 896811-63-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=NNN=N3)OC1=O)C |
| InChIKey | XNAUTFDACZANEG-UHFFFAOYSA-N |
Product Overview
ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate (CAS 896811-63-5), with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol. IUPAC: ethyl 3-[4-methyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate
Property Insights of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate. Following Lipinski's Rule of Five, ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate has 1 hydrogen bond donor(s) and 8 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 ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate?
The CAS number of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate is 896811-63-5.
What is the molecular formula of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate?
The molecular formula of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate is C17H18N4O5.
What is the molecular weight of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate?
The molecular weight of ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate is 358.13 g/mol.
Where can I buy ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate?
You can request a quote for ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[4-methyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.