Diethyl benzylpiperazinomethylbenzylphosphonate
TL;DR: Diethyl benzylpiperazinomethylbenzylphosphonate (CAS 6343-94-8) is a chemical compound with molecular formula C23H33N2O3P and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]piperazine
Also Known As: Dbpmbp, Diethyl benzylpiperazinomethylbenzylphosphonate, O,O-Diethyl (4-(4-benzylpiperazinomethyl)benzyl)phosphonate, 1-benzyl-4-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]piperazine, o,o-diethyl(4-(4-benzylpiperazinomethyl)benzyl)phosphonate
| Molecular Formula | C23H33N2O3P |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.22287 |
| Heavy Atoms | 29 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 6343-94-8 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCC |
| InChIKey | UYHITTYDLWDQLB-UHFFFAOYSA-N |
Product Overview
Diethyl benzylpiperazinomethylbenzylphosphonate (CAS 6343-94-8), with molecular formula C23H33N2O3P and molecular weight 416.22 g/mol. IUPAC: 1-benzyl-4-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]piperazine.
Chemical Property Profile of Diethyl benzylpiperazinomethylbenzylphosphonate
Property Insights of Diethyl benzylpiperazinomethylbenzylphosphonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl benzylpiperazinomethylbenzylphosphonate. With a topological polar surface area (TPSA) of 42.0 Ų, Diethyl benzylpiperazinomethylbenzylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl benzylpiperazinomethylbenzylphosphonate 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 Diethyl benzylpiperazinomethylbenzylphosphonate?
The CAS number of Diethyl benzylpiperazinomethylbenzylphosphonate is 6343-94-8.
What is the molecular formula of Diethyl benzylpiperazinomethylbenzylphosphonate?
The molecular formula of Diethyl benzylpiperazinomethylbenzylphosphonate is C23H33N2O3P.
What is the molecular weight of Diethyl benzylpiperazinomethylbenzylphosphonate?
The molecular weight of Diethyl benzylpiperazinomethylbenzylphosphonate is 416.22 g/mol.
Where can I buy Diethyl benzylpiperazinomethylbenzylphosphonate?
You can request a quote for Diethyl benzylpiperazinomethylbenzylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl benzylpiperazinomethylbenzylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl benzylpiperazinomethylbenzylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.