3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
TL;DR: 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one (CAS 849004-88-2) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one
Also Known As: EiM07-19268, 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one, AB01272561-02, 3,4-dimethyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one, 7-((2H-tetrazol-5-yl)methoxy)-3,4-dimethyl-2H-chromen-2-one
| Molecular Formula | C13H12N4O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 1.50194 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09094 |
| Heavy Atoms | 20 |
| Complexity | 808.3395 |
Chemical Identifiers
| CAS Number | 849004-88-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NNN=N3)C |
Product Overview
3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one (CAS 849004-88-2), with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol. IUPAC: 3,4-dimethyl-7-(2H-tetrazol-5-ylmethoxy)chromen-2-one.
Chemical Property Profile of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
Property Insights of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
The XLogP value of 1.50194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one has 1 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 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The CAS number of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is 849004-88-2.
What is the molecular formula of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The molecular formula of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is C13H12N4O3.
What is the molecular weight of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The molecular weight of 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is 272.09 g/mol.
Where can I buy 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
You can request a quote for 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.