3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one
TL;DR: 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one (CAS 313648-95-2) is a chemical compound with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepane-1-carbonyl)-6-bromochromen-2-one
Also Known As: 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one, BAS 00852370, 3-(azepane-1-carbonyl)-6-bromochromen-2-one, BIM-0016642.P001, 3-(Azepane-1-carbonyl)-6-bromo-chromen-2-one
| Molecular Formula | C16H16BrNO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.5717 |
| Topological Polar Surface Area | 50.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.03137 |
| Heavy Atoms | 21 |
| Complexity | 729.86975 |
Chemical Identifiers
| CAS Number | 313648-95-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one (CAS 313648-95-2), with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol. IUPAC: 3-(azepane-1-carbonyl)-6-bromochromen-2-one.
Chemical Property Profile of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one
Property Insights of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one
The XLogP value of 3.5717 indicates that 3-(azepane-1-carbonyl)-6-bromo-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 50.52 Ų, 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one has 0 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-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one?
The CAS number of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one is 313648-95-2.
What is the molecular formula of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one?
The molecular formula of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one is C16H16BrNO3.
What is the molecular weight of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one?
The molecular weight of 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one is 349.03 g/mol.
Where can I buy 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one?
You can request a quote for 3-(azepane-1-carbonyl)-6-bromo-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-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepane-1-carbonyl)-6-bromo-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.