5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile (CAS 847046-62-2) is a chemical compound with molecular formula C27H23ClN4O and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile, 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)oxazole-4-carbonitrile, 2-(3-chlorophenyl)-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C27H23ClN4O |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 5.77828 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.15604 |
| Heavy Atoms | 33 |
| Complexity | 1218.7883 |
Chemical Identifiers
| CAS Number | 847046-62-2 |
|---|---|
| SMILES | C1CN(CCN1C2=C(N=C(O2)C3=CC(=CC=C3)Cl)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile (CAS 847046-62-2), with molecular formula C27H23ClN4O and molecular weight 454.16 g/mol. IUPAC: 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 5.77828 indicates that 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile is 847046-62-2.
What is the molecular formula of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile is C27H23ClN4O.
What is the molecular weight of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile is 454.16 g/mol.
Where can I buy 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-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-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.