3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
TL;DR: 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one (CAS 861121-88-2) is a chemical compound with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4,7-dimethyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
Also Known As: 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one, 3-benzyl-4,7-dimethyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one, 5-((2H-tetrazol-5-yl)methoxy)-3-benzyl-4,7-dimethyl-2H-chromen-2-one, 3-BENZYL-4,7-DIMETHYL-5-[(1H-1,2,3,4-TETRAZOL-5-YL)METHOXY]-2H-CHROMEN-2-ONE
| Molecular Formula | C20H18N4O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.13788 |
| Heavy Atoms | 27 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 861121-88-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=NNN=N4 |
| InChIKey | SLMKSOVUNUKOTH-UHFFFAOYSA-N |
Product Overview
3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one (CAS 861121-88-2), with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol. IUPAC: 3-benzyl-4,7-dimethyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one.
Chemical Property Profile of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
Property Insights of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one
The XLogP value of 3.2 indicates that 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-benzyl-4,7-dimethyl-5-(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-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The CAS number of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is 861121-88-2.
What is the molecular formula of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The molecular formula of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is C20H18N4O3.
What is the molecular weight of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
The molecular weight of 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one is 362.14 g/mol.
Where can I buy 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
You can request a quote for 3-benzyl-4,7-dimethyl-5-(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-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4,7-dimethyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.