![2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol structure](/static/products/577/577959-83-2.png)
2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol
TL;DR: 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol (CAS 577959-83-2) is a chemical compound with molecular formula C21H19N3OS3 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-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),14-pentaene-13-thione
Also Known As: 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol, 2,2-dimethyl-10-(methylthio)-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol
| Molecular Formula | C21H19N3OS3 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 6.14229 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.06903 |
| Heavy Atoms | 28 |
| Complexity | 1275.2788 |
Chemical Identifiers
| CAS Number | 577959-83-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=S)N=C(N4)SC)C5=CC=CC=C5)C |
Product Overview
2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol (CAS 577959-83-2), with molecular formula C21H19N3OS3 and molecular weight 425.07 g/mol. IUPAC: 4,4-dimethyl-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),14-pentaene-13-thione.
Chemical Property Profile of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol
Property Insights of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol
The XLogP value of 6.14229 indicates that 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol has 1 hydrogen bond donor(s) and 6 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-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol?
The CAS number of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol is 577959-83-2.
What is the molecular formula of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol?
The molecular formula of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol is C21H19N3OS3.
What is the molecular weight of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol?
The molecular weight of 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol is 425.07 g/mol.
Where can I buy 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol?
You can request a quote for 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol 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-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.