![2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one structure](/static/products/874/874399-96-9.png)
2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one
TL;DR: 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one (CAS 874399-96-9) is a chemical compound with molecular formula C22H20ClNO3 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperidine-1-carbonyl)-6-chlorochromen-4-one
Also Known As: 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one, 6-chloro-2-{[4-benzylpiperidyl]carbonyl}chromen-4-one, 2-(4-benzylpiperidine-1-carbonyl)-6-chlorochromen-4-one, 2-(4-benzylpiperidine-1-carbonyl)-6-chloro-4H-chromen-4-one
| Molecular Formula | C22H20ClNO3 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 4.5413 |
| Topological Polar Surface Area | 50.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.11316 |
| Heavy Atoms | 27 |
| Complexity | 1020.65735 |
Chemical Identifiers
| CAS Number | 874399-96-9 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl |
Product Overview
2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one (CAS 874399-96-9), with molecular formula C22H20ClNO3 and molecular weight 381.11 g/mol. IUPAC: 2-(4-benzylpiperidine-1-carbonyl)-6-chlorochromen-4-one.
Chemical Property Profile of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one
Property Insights of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one
The XLogP value of 4.5413 indicates that 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-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, 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-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 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one?
The CAS number of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one is 874399-96-9.
What is the molecular formula of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one?
The molecular formula of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one is C22H20ClNO3.
What is the molecular weight of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one?
The molecular weight of 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one is 381.11 g/mol.
Where can I buy 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one?
You can request a quote for 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.