C20H27N3.2C2H2O4.1/2H2O
TL;DR: C20H27N3.2C2H2O4.1/2H2O (CAS 77869-69-3) is a chemical compound with molecular formula C24H31N3O8 and molecular weight 489.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]aniline
Also Known As: C20H27N3.2C2H2O4.1/2H2O, N-(2-(3-Phenethylhexahydropyrimidino)ethyl)aniline oxalate hydrate, 1(2H)-Pyrimidineethanamine, tetrahydro-N-phenyl-3-(2-phenylethyl)-, ethanedioate, hydrate (2:4:1), C20-H27-N3.2C2-H2-O4.1/2H2-O, oxalic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]aniline
| Molecular Formula | C24H31N3O8 |
|---|---|
| Molecular Weight | 489.21 g/mol |
| LogP | 1.6176 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.21112 |
| Heavy Atoms | 35 |
| Complexity | 876.88116 |
Chemical Identifiers
| CAS Number | 77869-69-3 |
|---|---|
| SMILES | C1CN(CN(C1)CCNC2=CC=CC=C2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C20H27N3.2C2H2O4.1/2H2O (CAS 77869-69-3), with molecular formula C24H31N3O8 and molecular weight 489.21 g/mol. IUPAC: oxalic acid;N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]aniline.
Chemical Property Profile of C20H27N3.2C2H2O4.1/2H2O
Property Insights of C20H27N3.2C2H2O4.1/2H2O
The XLogP value of 1.6176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H27N3.2C2H2O4.1/2H2O. The TPSA of 167.71 Ų indicates high polarity, suggesting C20H27N3.2C2H2O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H27N3.2C2H2O4.1/2H2O 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 C20H27N3.2C2H2O4.1/2H2O?
The CAS number of C20H27N3.2C2H2O4.1/2H2O is 77869-69-3.
What is the molecular formula of C20H27N3.2C2H2O4.1/2H2O?
The molecular formula of C20H27N3.2C2H2O4.1/2H2O is C24H31N3O8.
What is the molecular weight of C20H27N3.2C2H2O4.1/2H2O?
The molecular weight of C20H27N3.2C2H2O4.1/2H2O is 489.21 g/mol.
Where can I buy C20H27N3.2C2H2O4.1/2H2O?
You can request a quote for C20H27N3.2C2H2O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H27N3.2C2H2O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H27N3.2C2H2O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.