C25H22N4OS2
TL;DR: C25H22N4OS2 (CAS 861639-25-0) is a chemical compound with molecular formula C25H22N4OS2 and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(furan-2-yl)-14-methylsulfanyl-N-(2-phenylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
Also Known As: 4-(furan-2-yl)-9-(methylsulfanyl)-N-(2-phenylethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine, 4-(furan-2-yl)-9-(methylthio)-N-phenethyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
| Molecular Formula | C25H22N4OS2 |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 6.3647 |
| Topological Polar Surface Area | 63.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1235 |
| Heavy Atoms | 32 |
| Complexity | 1411.2194 |
Chemical Identifiers
| CAS Number | 861639-25-0 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)NCCC3=CC=CC=C3)SC4=C2C5=C(CCC5)C(=N4)C6=CC=CO6 |
Product Overview
C25H22N4OS2 (CAS 861639-25-0), with molecular formula C25H22N4OS2 and molecular weight 458.12 g/mol. IUPAC: 7-(furan-2-yl)-14-methylsulfanyl-N-(2-phenylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.
Chemical Property Profile of C25H22N4OS2
Property Insights of C25H22N4OS2
The XLogP value of 6.3647 indicates that C25H22N4OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H22N4OS2. Following Lipinski's Rule of Five, C25H22N4OS2 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H22N4OS2?
The CAS number of C25H22N4OS2 is 861639-25-0.
What is the molecular formula of C25H22N4OS2?
The molecular formula of C25H22N4OS2 is C25H22N4OS2.
What is the molecular weight of C25H22N4OS2?
The molecular weight of C25H22N4OS2 is 458.12 g/mol.
Where can I buy C25H22N4OS2?
You can request a quote for C25H22N4OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H22N4OS2?
Yes, KEHONG BIO provides custom synthesis services for C25H22N4OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.