7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one
TL;DR: 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one (CAS 76239-44-6) is a chemical compound with molecular formula C12H10N4O3 and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-8-methyl-3-(2H-tetrazol-5-yl)chromen-2-one
Also Known As: 7-Methoxy-8-methyl-3-(1H-tetrazol-5-yl)coumarin, 7-methoxy-8-methyl-3-(2H-tetrazol-5-yl)chromen-2-one, 7-Methoxy-8-methyl-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 7-methoxy-8-methyl-3-(1H-tetrazol-5-yl)-, 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one
| Molecular Formula | C12H10N4O3 |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 1.29012 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0753 |
| Heavy Atoms | 19 |
| Complexity | 792.58484 |
Chemical Identifiers
| CAS Number | 76239-44-6 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C(=C2)C3=NNN=N3)OC |
Product Overview
7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one (CAS 76239-44-6), with molecular formula C12H10N4O3 and molecular weight 258.08 g/mol. IUPAC: 7-methoxy-8-methyl-3-(2H-tetrazol-5-yl)chromen-2-one.
Chemical Property Profile of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one
Property Insights of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one
The XLogP value of 1.29012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-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 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one?
The CAS number of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one is 76239-44-6.
What is the molecular formula of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one?
The molecular formula of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one is C12H10N4O3.
What is the molecular weight of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one?
The molecular weight of 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one is 258.08 g/mol.
Where can I buy 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one?
You can request a quote for 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-8-methyl-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.