![Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate structure](/static/products/7247/724704-22-7.webp)
Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
TL;DR: Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate (CAS 724704-22-7) is a chemical compound with molecular formula C12H13N3O2S3 and molecular weight 327.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-bis(sulfanylidene)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
Also Known As: Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate, Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido(4',3':4,5)thieno(2,3-d)pyrimidine-7(2H)-carboxylate, Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4a(2),3a(2):4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate, Ethyl 2,4-bis(sulfanylidene)-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate, ethyl 2,4-dithioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
| Molecular Formula | C12H13N3O2S3 |
|---|---|
| Molecular Weight | 327.02 g/mol |
| LogP | 3.53108 |
| Topological Polar Surface Area | 61.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.017 |
| Heavy Atoms | 20 |
| Complexity | 789.32196 |
Chemical Identifiers
| CAS Number | 724704-22-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC3=C2C(=S)NC(=S)N3 |
Product Overview
Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate (CAS 724704-22-7), with molecular formula C12H13N3O2S3 and molecular weight 327.02 g/mol. IUPAC: ethyl 3,5-bis(sulfanylidene)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate.
Chemical Property Profile of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Property Insights of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
The XLogP value of 3.53108 indicates that Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate has 2 hydrogen bond donor(s) and 5 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 Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate?
The CAS number of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate is 724704-22-7.
What is the molecular formula of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate?
The molecular formula of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate is C12H13N3O2S3.
What is the molecular weight of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate?
The molecular weight of Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate is 327.02 g/mol.
Where can I buy Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate?
You can request a quote for Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3,4,5,6,8-hexahydro-2,4-dithioxopyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.