![2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/848/848218-80-4.png)
2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 848218-80-4) is a chemical compound with molecular formula C24H32N4O2S3 and molecular weight 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-13-(3-methylbutylsulfanyl)-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-hexaene
Also Known As: 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-(isopentylthio)-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 | C24H32N4O2S3 |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 5.7875 |
| Topological Polar Surface Area | 60.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.16873 |
| Heavy Atoms | 33 |
| Complexity | 1171.9213 |
Chemical Identifiers
| CAS Number | 848218-80-4 |
|---|---|
| SMILES | CC(C)CCSC1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5)SC |
Product Overview
2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 848218-80-4), with molecular formula C24H32N4O2S3 and molecular weight 504.17 g/mol. IUPAC: 4,4-dimethyl-13-(3-methylbutylsulfanyl)-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-hexaene.
Chemical Property Profile of 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 5.7875 indicates that 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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 60.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 848218-80-4.
What is the molecular formula of 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C24H32N4O2S3.
What is the molecular weight of 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 504.17 g/mol.
Where can I buy 2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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-8-[(3-methylbutyl)sulfanyl]-10-(methylsulfanyl)-5-(morpholin-4-yl)-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.