C22H25N3.1/2H2O
TL;DR: C22H25N3.1/2H2O (CAS 63680-82-0) is a chemical compound with molecular formula C44H52N6O and molecular weight 680.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-(2-phenylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene);hydrate
Also Known As: C22H25N3.1/2H2O, C22-H25-N3.1/2H2-O, 2-Phenethyl-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-phenethyl-, hemihydrate, dl-, 2-(2-Phenylethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole--water (2/1)
| Molecular Formula | C44H52N6O |
|---|---|
| Molecular Weight | 680.42 g/mol |
| LogP | 6.0811 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 680.4203 |
| Heavy Atoms | 51 |
| Complexity | 1889.34 |
Chemical Identifiers
| CAS Number | 63680-82-0 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCC4=CC=CC=C4)C5=CC=CC=C5N3.C1CN2CC3=C(CC2CN1CCC4=CC=CC=C4)C5=CC=CC=C5N3.O |
Product Overview
C22H25N3.1/2H2O (CAS 63680-82-0), with molecular formula C44H52N6O and molecular weight 680.42 g/mol. IUPAC: bis(6-(2-phenylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene);hydrate.
Chemical Property Profile of C22H25N3.1/2H2O
Property Insights of C22H25N3.1/2H2O
The XLogP value of 6.0811 indicates that C22H25N3.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H25N3.1/2H2O. Following Lipinski's Rule of Five, C22H25N3.1/2H2O has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H25N3.1/2H2O?
The CAS number of C22H25N3.1/2H2O is 63680-82-0.
What is the molecular formula of C22H25N3.1/2H2O?
The molecular formula of C22H25N3.1/2H2O is C44H52N6O.
What is the molecular weight of C22H25N3.1/2H2O?
The molecular weight of C22H25N3.1/2H2O is 680.42 g/mol.
Where can I buy C22H25N3.1/2H2O?
You can request a quote for C22H25N3.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H25N3.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C22H25N3.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.