![N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine structure](/static/products/587/587004-17-9.png)
N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine
TL;DR: N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine (CAS 587004-17-9) is a chemical compound with molecular formula C25H36N6O2S2 and molecular weight 516.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-N',N'-diethylethane-1,2-diamine
Also Known As: N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine, N1-(2,2-dimethyl-10-(methylthio)-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N2,N2-diethylethane-1,2-diamine
| Molecular Formula | C25H36N6O2S2 |
|---|---|
| Molecular Weight | 516.23 g/mol |
| LogP | 4.403 |
| Topological Polar Surface Area | 75.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.23413 |
| Heavy Atoms | 35 |
| Complexity | 1204.0885 |
Chemical Identifiers
| CAS Number | 587004-17-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5)SC |
Product Overview
N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine (CAS 587004-17-9), with molecular formula C25H36N6O2S2 and molecular weight 516.23 g/mol. IUPAC: N-(4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-N',N'-diethylethane-1,2-diamine.
Chemical Property Profile of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine
Property Insights of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine
The XLogP value of 4.403 indicates that N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine. Following Lipinski's Rule of Five, N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine?
The CAS number of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine is 587004-17-9.
What is the molecular formula of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine?
The molecular formula of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine is C25H36N6O2S2.
What is the molecular weight of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine?
The molecular weight of N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine is 516.23 g/mol.
Where can I buy N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine?
You can request a quote for N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.