RefChem:374172
TL;DR: RefChem:374172 (CAS 77869-77-3) is a chemical compound with molecular formula C23H35N3O9 and molecular weight 497.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid
Also Known As: N-(2-(3-n-Butylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate, Propanamide, N-(2-(3-butyltetrahydro-1(2H)-pyrimidinyl)ethyl)-N-phenyl-, ethandioate, hydrate (2:4:1), C19-H31-N3-O.2C2-H2-O4.1/2H2-O, N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide,oxalic acid, N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid
| Molecular Formula | C23H35N3O9 |
|---|---|
| Molecular Weight | 497.24 g/mol |
| LogP | 1.5061 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.23734 |
| Heavy Atoms | 35 |
| Complexity | 769.7149 |
Chemical Identifiers
| CAS Number | 77869-77-3 |
|---|---|
| SMILES | CCCCN1CCCN(C1)CCN(C2=CC=CC=C2)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:374172 (CAS 77869-77-3), with molecular formula C23H35N3O9 and molecular weight 497.24 g/mol. IUPAC: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid.
Chemical Property Profile of RefChem:374172
Property Insights of RefChem:374172
The XLogP value of 1.5061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:374172. The TPSA of 175.99 Ų indicates high polarity, suggesting RefChem:374172 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:374172 has 4 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 RefChem:374172?
The CAS number of RefChem:374172 is 77869-77-3.
What is the molecular formula of RefChem:374172?
The molecular formula of RefChem:374172 is C23H35N3O9.
What is the molecular weight of RefChem:374172?
The molecular weight of RefChem:374172 is 497.24 g/mol.
Where can I buy RefChem:374172?
You can request a quote for RefChem:374172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:374172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:374172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.