5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one
TL;DR: 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one (CAS 898418-24-1) is a chemical compound with molecular formula C23H23NO3 and molecular weight 361.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydroindol-1-ylmethyl)-5-[(2,5-dimethylphenyl)methoxy]pyran-4-one
Also Known As: F2617-1117, 2-[(2,3-dihydro-1H-indol-1-yl)methyl]-5-[(2,5-dimethylphenyl)methoxy]-4H-pyran-4-one, 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one, 2-(2,3-dihydroindol-1-ylmethyl)-5-[(2,5-dimethylphenyl)methoxy]pyran-4-one
| Molecular Formula | C23H23NO3 |
|---|---|
| Molecular Weight | 361.17 g/mol |
| LogP | 4.39834 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.1678 |
| Heavy Atoms | 27 |
| Complexity | 1022.1272 |
Chemical Identifiers
| CAS Number | 898418-24-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C43 |
Product Overview
5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one (CAS 898418-24-1), with molecular formula C23H23NO3 and molecular weight 361.17 g/mol. IUPAC: 2-(2,3-dihydroindol-1-ylmethyl)-5-[(2,5-dimethylphenyl)methoxy]pyran-4-one.
Chemical Property Profile of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one
Property Insights of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one
The XLogP value of 4.39834 indicates that 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one has 0 hydrogen bond donor(s) and 4 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 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one?
The CAS number of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one is 898418-24-1.
What is the molecular formula of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one?
The molecular formula of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one is C23H23NO3.
What is the molecular weight of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one?
The molecular weight of 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one is 361.17 g/mol.
Where can I buy 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one?
You can request a quote for 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((2,5-dimethylbenzyl)oxy)-2-(indolin-1-ylmethyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.