3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate
TL;DR: 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate (CAS 670244-86-7) is a chemical compound with molecular formula C25H28O5 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
Also Known As: 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate, (3-hexyl-4,8-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
| Molecular Formula | C25H28O5 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 5.76044 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.19366 |
| Heavy Atoms | 30 |
| Complexity | 1110.4575 |
Chemical Identifiers
| CAS Number | 670244-86-7 |
|---|---|
| SMILES | CCCCCCC1=C(C2=C(C(=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)C)OC1=O)C |
Product Overview
3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate (CAS 670244-86-7), with molecular formula C25H28O5 and molecular weight 408.19 g/mol. IUPAC: (3-hexyl-4,8-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate.
Chemical Property Profile of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate
Property Insights of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate
The XLogP value of 5.76044 indicates that 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate. Following Lipinski's Rule of Five, 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate?
The CAS number of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate is 670244-86-7.
What is the molecular formula of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate?
The molecular formula of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate is C25H28O5.
What is the molecular weight of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate?
The molecular weight of 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate is 408.19 g/mol.
Where can I buy 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate?
You can request a quote for 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.