N-(1-Methyl-2- anilinedioxalate
TL;DR: N-(1-Methyl-2- anilinedioxalate (CAS 77562-90-4) is a chemical compound with molecular formula C24H31N3O8 and molecular weight 489.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]aniline;oxalic acid
Also Known As: N-(1-Methyl-2- anilinedioxalate, N-(1-Methyl-2-(4-benzylpiperazino)ethyl)aniline dioxalate, 1-Piperazineethanamine, alpha-methyl-N-phenyl-4-(phenylmethyl)-, ethanedioate (1:2), N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]aniline,oxalic acid, N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]aniline; oxalic acid
| Molecular Formula | C24H31N3O8 |
|---|---|
| Molecular Weight | 489.21 g/mol |
| LogP | 1.616 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.21112 |
| Heavy Atoms | 35 |
| Complexity | 884.3001 |
Chemical Identifiers
| CAS Number | 77562-90-4 |
|---|---|
| SMILES | CC(CN1CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
N-(1-Methyl-2- anilinedioxalate (CAS 77562-90-4), with molecular formula C24H31N3O8 and molecular weight 489.21 g/mol. IUPAC: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]aniline;oxalic acid.
Chemical Property Profile of N-(1-Methyl-2- anilinedioxalate
Property Insights of N-(1-Methyl-2- anilinedioxalate
The XLogP value of 1.616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-2- anilinedioxalate. The TPSA of 167.71 Ų indicates high polarity, suggesting N-(1-Methyl-2- anilinedioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-Methyl-2- anilinedioxalate has 5 hydrogen bond donor(s) and 7 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 N-(1-Methyl-2- anilinedioxalate?
The CAS number of N-(1-Methyl-2- anilinedioxalate is 77562-90-4.
What is the molecular formula of N-(1-Methyl-2- anilinedioxalate?
The molecular formula of N-(1-Methyl-2- anilinedioxalate is C24H31N3O8.
What is the molecular weight of N-(1-Methyl-2- anilinedioxalate?
The molecular weight of N-(1-Methyl-2- anilinedioxalate is 489.21 g/mol.
Where can I buy N-(1-Methyl-2- anilinedioxalate?
You can request a quote for N-(1-Methyl-2- anilinedioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methyl-2- anilinedioxalate?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-2- anilinedioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.