3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
TL;DR: 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one (CAS 405918-92-5) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexyl-7-hydroxy-4,8-dimethylchromen-2-one
Also Known As: 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one, 3-hexyl-7-hydroxy-4,8-dimethylchromen-2-one, 3-hexyl-7-hydroxy-4,8-dimethyl-chromen-2-one, 2H-1-benzopyran-2-one, 3-hexyl-7-hydroxy-4,8-dimethyl-
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 4.23824 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 667.97 |
Chemical Identifiers
| CAS Number | 405918-92-5 |
|---|---|
| SMILES | CCCCCCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C |
Product Overview
3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one (CAS 405918-92-5), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: 3-hexyl-7-hydroxy-4,8-dimethylchromen-2-one.
Chemical Property Profile of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
Property Insights of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
The XLogP value of 4.23824 indicates that 3-hexyl-7-hydroxy-4,8-dimethyl-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 50.44 Ų, 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one has 1 hydrogen bond donor(s) and 3 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-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
The CAS number of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one is 405918-92-5.
What is the molecular formula of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
The molecular formula of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one is C17H22O3.
What is the molecular weight of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
The molecular weight of 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one is 274.16 g/mol.
Where can I buy 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
You can request a quote for 3-hexyl-7-hydroxy-4,8-dimethyl-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-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hexyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.