![5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile structure](/static/products/6469/646995-08-6.webp)
5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
TL;DR: 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile (CAS 646995-08-6) is a chemical compound with molecular formula C28H25ClN4O2 and molecular weight 484.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile, 2-[(4-chlorophenoxy)methyl]-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C28H25ClN4O2 |
|---|---|
| Molecular Weight | 484.17 g/mol |
| LogP | 5.69028 |
| Topological Polar Surface Area | 65.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.1666 |
| Heavy Atoms | 35 |
| Complexity | 1238.7992 |
Chemical Identifiers
| CAS Number | 646995-08-6 |
|---|---|
| SMILES | C1CN(CCN1C2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile (CAS 646995-08-6), with molecular formula C28H25ClN4O2 and molecular weight 484.17 g/mol. IUPAC: 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Property Insights of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
The XLogP value of 5.69028 indicates that 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile has 0 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 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is 646995-08-6.
What is the molecular formula of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is C28H25ClN4O2.
What is the molecular weight of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is 484.17 g/mol.
Where can I buy 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzhydrylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.