![2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/861/861111-66-2.png)
2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 861111-66-2) is a chemical compound with molecular formula C22H28N4O3S2 and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-13-propan-2-yloxy-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-hexaene
Also Known As: 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-isopropoxy-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]pyrimidine
| Molecular Formula | C22H28N4O3S2 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 4.4365 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.16028 |
| Heavy Atoms | 31 |
| Complexity | 1139.1741 |
Chemical Identifiers
| CAS Number | 861111-66-2 |
|---|---|
| SMILES | CC(C)OC1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5)SC |
Product Overview
2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 861111-66-2), with molecular formula C22H28N4O3S2 and molecular weight 460.16 g/mol. IUPAC: 4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-13-propan-2-yloxy-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-hexaene.
Chemical Property Profile of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 4.4365 indicates that 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine. Following Lipinski's Rule of Five, 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 9 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 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 861111-66-2.
What is the molecular formula of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C22H28N4O3S2.
What is the molecular weight of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 460.16 g/mol.
Where can I buy 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-(propan-2-yloxy)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.