Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate
TL;DR: Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate (CAS 314078-30-3) is a chemical compound with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]benzoate
Also Known As: Methyl 4-[(4-benzhydrylpiperazin-1-yl)iminomethyl]benzoate, methyl 4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]benzoate, (E)-methyl 4-(((4-benzhydrylpiperazin-1-yl)imino)methyl)benzoate, METHYL 4-(((4-BENZHYDRYL-1-PIPERAZINYL)IMINO)METHYL)BENZOATE, methyl 4-[(E)-{[4-(diphenylmethyl)piperazin-1-yl]imino}methyl]benzoate
| Molecular Formula | C26H27N3O2 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 4.2143 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.21033 |
| Heavy Atoms | 31 |
| Complexity | 956.3417 |
Chemical Identifiers
| CAS Number | 314078-30-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate (CAS 314078-30-3), with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol. IUPAC: methyl 4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]benzoate.
Chemical Property Profile of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate
Property Insights of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate
The XLogP value of 4.2143 indicates that Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate?
The CAS number of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate is 314078-30-3.
What is the molecular formula of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate?
The molecular formula of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate is C26H27N3O2.
What is the molecular weight of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate?
The molecular weight of Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate is 413.21 g/mol.
Where can I buy Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate?
You can request a quote for Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(((4-benzhydryl-1-piperazinyl)imino)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.