C16H25N3O.2C2H2O4.1/2H2O
TL;DR: C16H25N3O.2C2H2O4.1/2H2O (CAS 77869-71-7) is a chemical compound with molecular formula C20H29N3O9 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid
Also Known As: C16H25N3O.2C2H2O4.1/2H2O, N-(2-(3-Methylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate, Propanamide, N-phenyl-N-(2-(tetrahydro-3-methyl-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1), C16-H25-N3-O.2C2-H2-O4.1/2H2-O, N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid
| Molecular Formula | C20H29N3O9 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 0.3358 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.19037 |
| Heavy Atoms | 32 |
| Complexity | 722.83887 |
Chemical Identifiers
| CAS Number | 77869-71-7 |
|---|---|
| SMILES | CCC(=O)N(CCN1CCCN(C1)C)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C16H25N3O.2C2H2O4.1/2H2O (CAS 77869-71-7), with molecular formula C20H29N3O9 and molecular weight 455.19 g/mol. IUPAC: N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid.
Chemical Property Profile of C16H25N3O.2C2H2O4.1/2H2O
Property Insights of C16H25N3O.2C2H2O4.1/2H2O
The XLogP value of 0.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H25N3O.2C2H2O4.1/2H2O. The TPSA of 175.99 Ų indicates high polarity, suggesting C16H25N3O.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H25N3O.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 C16H25N3O.2C2H2O4.1/2H2O?
The CAS number of C16H25N3O.2C2H2O4.1/2H2O is 77869-71-7.
What is the molecular formula of C16H25N3O.2C2H2O4.1/2H2O?
The molecular formula of C16H25N3O.2C2H2O4.1/2H2O is C20H29N3O9.
What is the molecular weight of C16H25N3O.2C2H2O4.1/2H2O?
The molecular weight of C16H25N3O.2C2H2O4.1/2H2O is 455.19 g/mol.
Where can I buy C16H25N3O.2C2H2O4.1/2H2O?
You can request a quote for C16H25N3O.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 C16H25N3O.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C16H25N3O.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.