![1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine structure](/static/products/3390/339019-78-2.webp)
1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine
TL;DR: 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine (CAS 339019-78-2) is a chemical compound with molecular formula C27H26ClN3O and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(2-chlorophenyl)-1,2-oxazole
Also Known As: 7N-663S, 1-benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine, 1-{[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl}-4-(diphenylmethyl)piperazine, 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(2-chlorophenyl)-1,2-oxazole, 1-benzhydryl-4-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperazine
| Molecular Formula | C27H26ClN3O |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 5.9022 |
| Topological Polar Surface Area | 32.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.17645 |
| Heavy Atoms | 32 |
| Complexity | 1098.3073 |
Chemical Identifiers
| CAS Number | 339019-78-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=NOC(=C2)C3=CC=CC=C3Cl)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine (CAS 339019-78-2), with molecular formula C27H26ClN3O and molecular weight 443.18 g/mol. IUPAC: 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(2-chlorophenyl)-1,2-oxazole.
Chemical Property Profile of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine
Property Insights of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine
The XLogP value of 5.9022 indicates that 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.51 Ų, 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine 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 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine?
The CAS number of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine is 339019-78-2.
What is the molecular formula of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine?
The molecular formula of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine is C27H26ClN3O.
What is the molecular weight of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine?
The molecular weight of 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine is 443.18 g/mol.
Where can I buy 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine?
You can request a quote for 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzhydryl-4-{[5-(2-chlorophenyl)-3-isoxazolyl]methyl}piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.