![3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol structure](/static/products/840/840474-46-6.png)
3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
TL;DR: 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol (CAS 840474-46-6) is a chemical compound with molecular formula C15H23N3O2S2 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4-trien-3-yl)amino]propan-1-ol
Also Known As: 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol, 3-[(6,6-dimethyl-2-methylsulfanyl-1,4,5,8-tetrahydropyrano[2,3]thieno[2,4-d]pyrimidin-4-yl)amino]propan-1-ol, 3-[[6,6-dimethyl-2-(methylthio)-1,4,5,8-tetrahydropyrano[2,3]thieno[2,4-d]pyrimidin-4-yl]amino]-1-propanol, 3-[[6,6-dimethyl-2-(methylthio)-1,4,5,8-tetrahydropyrano[2,3]thieno[2,4-d]pyrimidin-4-yl]amino]propan-1-ol, 3-{[6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
| Molecular Formula | C15H23N3O2S2 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.12317 |
| Heavy Atoms | 22 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 840474-46-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(N=C(N3)SC)NCCCO)C |
| InChIKey | PEOVEFUTTKNYHF-UHFFFAOYSA-N |
Product Overview
3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol (CAS 840474-46-6), with molecular formula C15H23N3O2S2 and molecular weight 341.12 g/mol. IUPAC: 3-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4-trien-3-yl)amino]propan-1-ol.
Chemical Property Profile of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
Property Insights of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol. Following Lipinski's Rule of Five, 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol has 3 hydrogen bond donor(s) and 6 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 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The CAS number of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is 840474-46-6.
What is the molecular formula of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The molecular formula of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is C15H23N3O2S2.
What is the molecular weight of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
The molecular weight of 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol is 341.12 g/mol.
Where can I buy 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
You can request a quote for 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-((6,6-dimethyl-2-(methylthio)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.