C25H22ClNO5
TL;DR: C25H22ClNO5 (CAS 859660-99-4) is a chemical compound with molecular formula C25H22ClNO5 and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-chloro-2-oxochromen-3-yl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]chromen-2-one
Also Known As: 6-chloro-7'-hydroxy-8'-[(4-methylpiperidin-1-yl)methyl]-2H,2'H-3,4'-bichromene-2,2'-dione, 4-(6-chloro-2-oxo-chromen-3-yl)-7-hydroxy-8-[(4-methyl-1-piperidyl)methyl]chromen-2-one, 4-(6-chloro-2-oxochromen-3-yl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]chromen-2-one, 6-chloro-3-{7-hydroxy-8-[(4-methylpiperidyl)methyl]-2-oxochromen-4-yl}chromen- 2-one, 6-chloro-7'-hydroxy-8'-((4-methylpiperidin-1-yl)methyl)-2H,2'H-[3,4'-bichromene]-2,2'-dione
| Molecular Formula | C25H22ClNO5 |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 5.1573 |
| Topological Polar Surface Area | 83.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.11865 |
| Heavy Atoms | 32 |
| Complexity | 1446.9485 |
Chemical Identifiers
| CAS Number | 859660-99-4 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O |
Product Overview
C25H22ClNO5 (CAS 859660-99-4), with molecular formula C25H22ClNO5 and molecular weight 451.12 g/mol. IUPAC: 4-(6-chloro-2-oxochromen-3-yl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]chromen-2-one.
Chemical Property Profile of C25H22ClNO5
Property Insights of C25H22ClNO5
The XLogP value of 5.1573 indicates that C25H22ClNO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.89 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H22ClNO5. Following Lipinski's Rule of Five, C25H22ClNO5 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H22ClNO5?
The CAS number of C25H22ClNO5 is 859660-99-4.
What is the molecular formula of C25H22ClNO5?
The molecular formula of C25H22ClNO5 is C25H22ClNO5.
What is the molecular weight of C25H22ClNO5?
The molecular weight of C25H22ClNO5 is 451.12 g/mol.
Where can I buy C25H22ClNO5?
You can request a quote for C25H22ClNO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H22ClNO5?
Yes, KEHONG BIO provides custom synthesis services for C25H22ClNO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.