C18H22N4O3S2
TL;DR: C18H22N4O3S2 (CAS 1002956-04-8) is a chemical compound with molecular formula C18H22N4O3S2 and molecular weight 406.11334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperazine-1-carboxylate
Technical Specifications
| Molecular Formula | C18H22N4O3S2 |
| Molecular Weight | 406.11334 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.11334 Da |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 |
| InChIKey | WXUHBJDVEQRISB-UHFFFAOYSA-N |
Chemical Property Profile of C18H22N4O3S2
Property Insights of C18H22N4O3S2
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H22N4O3S2. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H22N4O3S2. Following Lipinski's Rule of Five, C18H22N4O3S2 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
What is the CAS number of C18H22N4O3S2?
The CAS number of C18H22N4O3S2 is 1002956-04-8.
What is the molecular formula of C18H22N4O3S2?
The molecular formula of C18H22N4O3S2 is C18H22N4O3S2.
What is the molecular weight of C18H22N4O3S2?
The molecular weight of C18H22N4O3S2 is 406.11334 g/mol.
Where can I buy C18H22N4O3S2?
You can request a quote for C18H22N4O3S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H22N4O3S2?
Yes, CoreyChem provides custom synthesis services for C18H22N4O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.