RefChem:374249
TL;DR: RefChem:374249 (CAS 77869-79-5) is a chemical compound with molecular formula C26H33N3O9 and molecular weight 531.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid
Also Known As: C22H29N3O.2C2H2O4.1/2H2O, N-(2-(3-Benzylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate, Propanamide, N-phenyl-N-(2-(tetrahydro-3-(phenylmethyl)-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1), C22-H29-N3-O.2C2-H2-O4.1/2H2-O, N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid
| Molecular Formula | C26H33N3O9 |
|---|---|
| Molecular Weight | 531.22 g/mol |
| LogP | 1.9062 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.2217 |
| Heavy Atoms | 38 |
| Complexity | 1000.44415 |
Chemical Identifiers
| CAS Number | 77869-79-5 |
|---|---|
| SMILES | CCC(=O)N(CCN1CCCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:374249 (CAS 77869-79-5), with molecular formula C26H33N3O9 and molecular weight 531.22 g/mol. IUPAC: N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid.
Chemical Property Profile of RefChem:374249
Property Insights of RefChem:374249
The XLogP value of 1.9062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:374249. The TPSA of 175.99 Ų indicates high polarity, suggesting RefChem:374249 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:374249 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 RefChem:374249?
The CAS number of RefChem:374249 is 77869-79-5.
What is the molecular formula of RefChem:374249?
The molecular formula of RefChem:374249 is C26H33N3O9.
What is the molecular weight of RefChem:374249?
The molecular weight of RefChem:374249 is 531.22 g/mol.
Where can I buy RefChem:374249?
You can request a quote for RefChem:374249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374249?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.