![3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one structure](/static/products/220/220190-70-5.png)
3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one
TL;DR: 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one (CAS 220190-70-5) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5-oxa-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
Also Known As: 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one, 3,3-dimethyl-3,4,8,9-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5(7H)-one
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 220190-70-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N4CCCC4=N3)C |
| InChIKey | KYLWZKIAFPRNNH-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one (CAS 220190-70-5), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 4,4-dimethyl-5-oxa-8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.
Chemical Property Profile of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one
Property Insights of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one. Following Lipinski's Rule of Five, 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one has 0 hydrogen bond donor(s) and 4 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 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one?
The CAS number of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one is 220190-70-5.
What is the molecular formula of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one?
The molecular formula of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one is C14H16N2O2S.
What is the molecular weight of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one?
The molecular weight of 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one is 276.09 g/mol.
Where can I buy 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one?
You can request a quote for 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1,3,4,7,8,9-hexahydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrrolo[1,2-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.