7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one
TL;DR: 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one (CAS 438036-18-1) is a chemical compound with molecular formula C27H32O4 and molecular weight 420.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenylchromen-2-one
Also Known As: EiM07-13381, 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one, 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenylchromen-2-one
| Molecular Formula | C27H32O4 |
|---|---|
| Molecular Weight | 420.23 g/mol |
| LogP | 6.5768 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.23007 |
| Heavy Atoms | 31 |
| Complexity | 1087.9049 |
Chemical Identifiers
| CAS Number | 438036-18-1 |
|---|---|
| SMILES | CCCCCCC1=CC2=C(C=C1OCC(=O)C(C)(C)C)OC(=O)C=C2C3=CC=CC=C3 |
Product Overview
7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one (CAS 438036-18-1), with molecular formula C27H32O4 and molecular weight 420.23 g/mol. IUPAC: 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenylchromen-2-one.
Chemical Property Profile of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one
Property Insights of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one
The XLogP value of 6.5768 indicates that 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one?
The CAS number of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one is 438036-18-1.
What is the molecular formula of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one?
The molecular formula of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one is C27H32O4.
What is the molecular weight of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one?
The molecular weight of 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one is 420.23 g/mol.
Where can I buy 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one?
You can request a quote for 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-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 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.