N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate
TL;DR: N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate (CAS 77869-81-9) is a chemical compound with molecular formula C27H35N3O9 and molecular weight 545.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
Also Known As: N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate, Propanamide, N-phenyl-N-(2-(tetrahydro-3-(2-phenylethyl)-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (1:2:1), oxalic acid,N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-, oxalic acid,N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide, Oxalic acid--N-phenyl-N-{2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl}propanamide (2/1)
| Molecular Formula | C27H35N3O9 |
|---|---|
| Molecular Weight | 545.24 g/mol |
| LogP | 1.9487 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.2373 |
| Heavy Atoms | 39 |
| Complexity | 1016.6872 |
Chemical Identifiers
| CAS Number | 77869-81-9 |
|---|---|
| SMILES | CCC(=O)N(CCN1CCCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate (CAS 77869-81-9), with molecular formula C27H35N3O9 and molecular weight 545.24 g/mol. IUPAC: oxalic acid;N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide.
Chemical Property Profile of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate
Property Insights of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate
The XLogP value of 1.9487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate. The TPSA of 175.99 Ų indicates high polarity, suggesting N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate?
The CAS number of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate is 77869-81-9.
What is the molecular formula of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate?
The molecular formula of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate is C27H35N3O9.
What is the molecular weight of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate?
The molecular weight of N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate is 545.24 g/mol.
Where can I buy N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate?
You can request a quote for N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-Phenethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.