8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 307535-33-7) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-ylmethyl)-7-hydroxy-4-methylchromen-2-one
Also Known As: BAS 02785574, 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one, 8-(azepan-1-ylmethyl)-7-hydroxy-4-methylchromen-2-one, 8-Azepan-1-ylmethyl-7-hydroxy-4-methyl-chromen-2-one, 8-(azaperhydroepinylmethyl)-7-hydroxy-4-methylchromen-2-one
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 3.18302 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 696.9828 |
Chemical Identifiers
| CAS Number | 307535-33-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCCC3)O |
Product Overview
8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 307535-33-7), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.18302 indicates that 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-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 53.68 Ų, 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one has 1 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 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one is 307535-33-7.
What is the molecular formula of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one is C17H21NO3.
What is the molecular weight of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one is 287.15 g/mol.
Where can I buy 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-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 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-ylmethyl)-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.