4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one
TL;DR: 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one (CAS 887210-75-5) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ylmethyl)-6-hydroxychromen-2-one
Also Known As: 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one, 4-(azepan-1-ylmethyl)-6-hydroxychromen-2-one, 4-(azepan-1-ylmethyl)-6-hydroxy-chromen-2-one, 4-(azaperhydroepinylmethyl)-6-hydroxychromen-2-one
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.8746 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 654.3098 |
Chemical Identifiers
| CAS Number | 887210-75-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC(=O)OC3=C2C=C(C=C3)O |
Product Overview
4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one (CAS 887210-75-5), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: 4-(azepan-1-ylmethyl)-6-hydroxychromen-2-one.
Chemical Property Profile of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one
Property Insights of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one
The XLogP value of 2.8746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one. With a topological polar surface area (TPSA) of 53.68 Ų, 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(azepan-1-ylmethyl)-6-hydroxy-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 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one?
The CAS number of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one is 887210-75-5.
What is the molecular formula of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one?
The molecular formula of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one is C16H19NO3.
What is the molecular weight of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one?
The molecular weight of 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one is 273.14 g/mol.
Where can I buy 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one?
You can request a quote for 4-(azepan-1-ylmethyl)-6-hydroxy-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 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepan-1-ylmethyl)-6-hydroxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.