4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
TL;DR: 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one (CAS 862184-67-6) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
Also Known As: EiM07-19288, 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one, 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)coumarin, 4-butyl-7-methyl-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-2-one, 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 862184-67-6 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC3=NNN=N3 |
| InChIKey | ALTLOEBOPFEMNN-UHFFFAOYSA-N |
Product Overview
4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one (CAS 862184-67-6), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one.
Chemical Property Profile of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
Property Insights of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one. Following Lipinski's Rule of Five, 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)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 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
The CAS number of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one is 862184-67-6.
What is the molecular formula of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
The molecular formula of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one is C16H18N4O3.
What is the molecular weight of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
The molecular weight of 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one is 314.14 g/mol.
Where can I buy 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
You can request a quote for 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)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 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-7-methyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.