![dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate structure](/static/products/369/369606-53-1.png)
dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate
TL;DR: dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate (CAS 369606-53-1) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 10-oxo-18-thia-2,9,14,15-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-14,15-dicarboxylate
Also Known As: dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate, dimethyl 13-oxo-7,8,9,10,11,13-hexahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3(1H,4H)-dicarboxylate
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 2.2498 |
| Topological Polar Surface Area | 93.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 981.8396 |
Chemical Identifiers
| CAS Number | 369606-53-1 |
|---|---|
| SMILES | COC(=O)N1CC2=C(CN1C(=O)OC)SC3=C2C(=O)N4CCCCCC4=N3 |
Product Overview
dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate (CAS 369606-53-1), with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol. IUPAC: dimethyl 10-oxo-18-thia-2,9,14,15-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-14,15-dicarboxylate.
Chemical Property Profile of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate
Property Insights of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate
The XLogP value of 2.2498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate. The TPSA of 93.97 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate 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 dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate?
The CAS number of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate is 369606-53-1.
What is the molecular formula of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate?
The molecular formula of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate is C17H20N4O5S.
What is the molecular weight of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate?
The molecular weight of dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate is 392.12 g/mol.
Where can I buy dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate?
You can request a quote for dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 13-oxo-1,4,7,8,9,10,11,13-octahydropyridazino[4'',5'':4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.