C17H27N3O.2C2H2O4.1/2H2O
TL;DR: C17H27N3O.2C2H2O4.1/2H2O (CAS 77869-73-9) is a chemical compound with molecular formula C21H31N3O9 and molecular weight 469.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid
Also Known As: C17H27N3O.2C2H2O4.1/2H2O, N-(2-(3-Ethylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate, Propanamide, N-(2-(3-ethyltetrahydro-1(2H)-pyrimidinyl)ethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1), C17-H27-N3-O.2C2-H2-O4.1/2H2-O, N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid
| Molecular Formula | C21H31N3O9 |
|---|---|
| Molecular Weight | 469.21 g/mol |
| LogP | 0.7259 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.20602 |
| Heavy Atoms | 33 |
| Complexity | 738.44495 |
Chemical Identifiers
| CAS Number | 77869-73-9 |
|---|---|
| SMILES | CCC(=O)N(CCN1CCCN(C1)CC)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C17H27N3O.2C2H2O4.1/2H2O (CAS 77869-73-9), with molecular formula C21H31N3O9 and molecular weight 469.21 g/mol. IUPAC: N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid.
Chemical Property Profile of C17H27N3O.2C2H2O4.1/2H2O
Property Insights of C17H27N3O.2C2H2O4.1/2H2O
The XLogP value of 0.7259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H27N3O.2C2H2O4.1/2H2O. The TPSA of 175.99 Ų indicates high polarity, suggesting C17H27N3O.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H27N3O.2C2H2O4.1/2H2O 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 C17H27N3O.2C2H2O4.1/2H2O?
The CAS number of C17H27N3O.2C2H2O4.1/2H2O is 77869-73-9.
What is the molecular formula of C17H27N3O.2C2H2O4.1/2H2O?
The molecular formula of C17H27N3O.2C2H2O4.1/2H2O is C21H31N3O9.
What is the molecular weight of C17H27N3O.2C2H2O4.1/2H2O?
The molecular weight of C17H27N3O.2C2H2O4.1/2H2O is 469.21 g/mol.
Where can I buy C17H27N3O.2C2H2O4.1/2H2O?
You can request a quote for C17H27N3O.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H27N3O.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H27N3O.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.