![2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE structure](/static/products/799/799808-77-8.png)
2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE
TL;DR: 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE (CAS 799808-77-8) is a chemical compound with molecular formula C19H22N4OS2 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-13-methylsulfanyl-8-pyrrolidin-1-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-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE, 2,2-dimethyl-8-(methylsulfanyl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-dimethyl-8-(methylthio)-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C19H22N4OS2 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 4.4129 |
| Topological Polar Surface Area | 51.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.1235 |
| Heavy Atoms | 26 |
| Complexity | 1007.85065 |
Chemical Identifiers
| CAS Number | 799808-77-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SC)N5CCCC5)C |
Product Overview
2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE (CAS 799808-77-8), with molecular formula C19H22N4OS2 and molecular weight 386.12 g/mol. IUPAC: 4,4-dimethyl-13-methylsulfanyl-8-pyrrolidin-1-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-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE
Property Insights of 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE
The XLogP value of 4.4129 indicates that 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.14 Ų, 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE has 0 hydrogen bond donor(s) and 7 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-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE?
The CAS number of 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE is 799808-77-8.
What is the molecular formula of 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE?
The molecular formula of 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE is C19H22N4OS2.
What is the molecular weight of 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE?
The molecular weight of 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE is 386.12 g/mol.
Where can I buy 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE?
You can request a quote for 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE 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-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 2,2-DIMETHYL-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL METHYL SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.