![4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one structure](/static/products/896/896830-18-5.png)
4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one
TL;DR: 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one (CAS 896830-18-5) is a chemical compound with molecular formula C27H25ClN2O2 and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chlorochromen-2-one
Also Known As: EiM08-01525, 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one, 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chloro-chromen-2-one, 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chlorochromen-2-one, 6-chloro-4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2H-chromen-2-one
| Molecular Formula | C27H25ClN2O2 |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 5.3536 |
| Topological Polar Surface Area | 36.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.16046 |
| Heavy Atoms | 32 |
| Complexity | 1209.6459 |
Chemical Identifiers
| CAS Number | 896830-18-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one (CAS 896830-18-5), with molecular formula C27H25ClN2O2 and molecular weight 444.16 g/mol. IUPAC: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chlorochromen-2-one.
Chemical Property Profile of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one
Property Insights of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one
The XLogP value of 5.3536 indicates that 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-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 36.69 Ų, 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one?
The CAS number of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one is 896830-18-5.
What is the molecular formula of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one?
The molecular formula of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one is C27H25ClN2O2.
What is the molecular weight of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one?
The molecular weight of 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one is 444.16 g/mol.
Where can I buy 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one?
You can request a quote for 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-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-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-benzhydrylpiperazino)methyl]-6-chloro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.