C14H23N3.2C2H2O4.3/2H2O
TL;DR: C14H23N3.2C2H2O4.3/2H2O (CAS 77869-61-5) is a chemical compound with molecular formula C18H27N3O8 and molecular weight 413.18 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]aniline;oxalic acid
Also Known As: C14H23N3.2C2H2O4.3/2H2O, N-(2-(3-Ethylhexahydropyrimidino)ethyl)aniline oxalate hydrate, 1(2H)-Pyrimidineethanamine, tetrahydro-3-ethyl-N-phenyl-, ethanedioate, hydrate (2:4:3), Tetrahydro-3-ethyl-N-phenyl-1(2H)-pyrimidineethanamine ethanedioate, hydrate (2:4:3), C14-H23-N3.2C2-H2-O4.3/2H2-O
| Molecular Formula | C18H27N3O8 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 0.3948 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1798 |
| Heavy Atoms | 29 |
| Complexity | 605.7661 |
Chemical Identifiers
| CAS Number | 77869-61-5 |
|---|---|
| SMILES | CCN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C14H23N3.2C2H2O4.3/2H2O (CAS 77869-61-5), with molecular formula C18H27N3O8 and molecular weight 413.18 g/mol. IUPAC: N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid.
Chemical Property Profile of C14H23N3.2C2H2O4.3/2H2O
Property Insights of C14H23N3.2C2H2O4.3/2H2O
The XLogP value of 0.3948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H23N3.2C2H2O4.3/2H2O. The TPSA of 167.71 Ų indicates high polarity, suggesting C14H23N3.2C2H2O4.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C14H23N3.2C2H2O4.3/2H2O has 5 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 C14H23N3.2C2H2O4.3/2H2O?
The CAS number of C14H23N3.2C2H2O4.3/2H2O is 77869-61-5.
What is the molecular formula of C14H23N3.2C2H2O4.3/2H2O?
The molecular formula of C14H23N3.2C2H2O4.3/2H2O is C18H27N3O8.
What is the molecular weight of C14H23N3.2C2H2O4.3/2H2O?
The molecular weight of C14H23N3.2C2H2O4.3/2H2O is 413.18 g/mol.
Where can I buy C14H23N3.2C2H2O4.3/2H2O?
You can request a quote for C14H23N3.2C2H2O4.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H23N3.2C2H2O4.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C14H23N3.2C2H2O4.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.