C22H26N4O2S2
TL;DR: C22H26N4O2S2 (CAS 845991-98-2) is a chemical compound with molecular formula C22H26N4O2S2 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-5-(2-morpholin-4-ylethylsulfanyl)-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 7-methyl-2-((2-morpholinoethyl)thio)-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-methyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H26N4O2S2 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 2.8594 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.14972 |
| Heavy Atoms | 30 |
| Complexity | 1089.9509 |
Chemical Identifiers
| CAS Number | 845991-98-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCN4CCOCC4)C5=CC=CC=C5 |
Product Overview
C22H26N4O2S2 (CAS 845991-98-2), with molecular formula C22H26N4O2S2 and molecular weight 442.15 g/mol. IUPAC: 11-methyl-5-(2-morpholin-4-ylethylsulfanyl)-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of C22H26N4O2S2
Property Insights of C22H26N4O2S2
The XLogP value of 2.8594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H26N4O2S2. With a topological polar surface area (TPSA) of 50.6 Ų, C22H26N4O2S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H26N4O2S2 has 0 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 C22H26N4O2S2?
The CAS number of C22H26N4O2S2 is 845991-98-2.
What is the molecular formula of C22H26N4O2S2?
The molecular formula of C22H26N4O2S2 is C22H26N4O2S2.
What is the molecular weight of C22H26N4O2S2?
The molecular weight of C22H26N4O2S2 is 442.15 g/mol.
Where can I buy C22H26N4O2S2?
You can request a quote for C22H26N4O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H26N4O2S2?
Yes, KEHONG BIO provides custom synthesis services for C22H26N4O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.