![2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/586/586997-46-8.png)
2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 586997-46-8) is a chemical compound with molecular formula C26H29N5OS2 and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-13-(4-methylpiperazin-1-yl)-15-methylsulfanyl-8-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylthio)-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-DIMETHYL-8-(4-METHYLPIPERAZINO)-10-(METHYLSULFANYL)-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE
| Molecular Formula | C26H29N5OS2 |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | 5.2315 |
| Topological Polar Surface Area | 54.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.18137 |
| Heavy Atoms | 34 |
| Complexity | 1376.9816 |
Chemical Identifiers
| CAS Number | 586997-46-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)N5CCN(CC5)C)C6=CC=CC=C6)C |
Product Overview
2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 586997-46-8), with molecular formula C26H29N5OS2 and molecular weight 491.18 g/mol. IUPAC: 4,4-dimethyl-13-(4-methylpiperazin-1-yl)-15-methylsulfanyl-8-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 5.2315 indicates that 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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. With a topological polar surface area (TPSA) of 54.38 Ų, 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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 8 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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 586997-46-8.
What is the molecular formula of 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C26H29N5OS2.
What is the molecular weight of 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 491.18 g/mol.
Where can I buy 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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-(4-methylpiperazin-1-yl)-10-(methylsulfanyl)-5-phenyl-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.