![methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate structure](/static/products/896/896853-29-5.png)
methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate
TL;DR: methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate (CAS 896853-29-5) is a chemical compound with molecular formula C16H16N4O5 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate
Also Known As: methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate, 2-[2-keto-4,7-dimethyl-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetic acid methyl ester, methyl [4,7-dimethyl-2-oxo-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]acetate, methyl 2-(5-((1H-tetrazol-5-yl)methoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetate, Methyl 2-(5-((2H-tetrazol-5-yl)methoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetate
| Molecular Formula | C16H16N4O5 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.11206 |
| Heavy Atoms | 25 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 896853-29-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC(=O)OC)C)C(=C1)OCC3=NNN=N3 |
| InChIKey | PPUBQGVLSBQZDL-UHFFFAOYSA-N |
Product Overview
methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate (CAS 896853-29-5), with molecular formula C16H16N4O5 and molecular weight 344.11 g/mol. IUPAC: methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate.
Chemical Property Profile of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate
Property Insights of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate. Following Lipinski's Rule of Five, methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate 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 methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate?
The CAS number of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate is 896853-29-5.
What is the molecular formula of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate?
The molecular formula of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate is C16H16N4O5.
What is the molecular weight of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate?
The molecular weight of methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate is 344.11 g/mol.
Where can I buy methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate?
You can request a quote for methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[4,7-dimethyl-2-oxo-5-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.