![2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/844/844452-76-2.png)
2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 844452-76-2) is a chemical compound with molecular formula C25H33N5O3S3 and molecular weight 547.17 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-(2-morpholin-4-ylethylsulfanyl)-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-dimethyl-10-(methylthio)-5-morpholino-8-((2-morpholinoethyl)thio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C25H33N5O3S3 |
|---|---|
| Molecular Weight | 547.17 g/mol |
| LogP | 4.0736 |
| Topological Polar Surface Area | 72.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.17456 |
| Heavy Atoms | 36 |
| Complexity | 1255.1803 |
Chemical Identifiers
| CAS Number | 844452-76-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)SCCN5CCOCC5)N6CCOCC6)C |
Product Overview
2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 844452-76-2), with molecular formula C25H33N5O3S3 and molecular weight 547.17 g/mol. IUPAC: 4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-13-(2-morpholin-4-ylethylsulfanyl)-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 4.0736 indicates that 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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 72.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 844452-76-2.
What is the molecular formula of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C25H33N5O3S3.
What is the molecular weight of 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 547.17 g/mol.
Where can I buy 2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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-{[2-(morpholin-4-yl)ethyl]sulfanyl}-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.