![3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one structure](/static/products/861/861644-37-3.png)
3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one
TL;DR: 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one (CAS 861644-37-3) is a chemical compound with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-one
Also Known As: 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one, 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
| Molecular Formula | C23H28N4O4S |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 2.84907 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.18314 |
| Heavy Atoms | 32 |
| Complexity | 1276.0348 |
Chemical Identifiers
| CAS Number | 861644-37-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC(=O)N4CCCCC4)CC5=CC=CO5)C |
Product Overview
3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one (CAS 861644-37-3), with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-one.
Chemical Property Profile of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one
Property Insights of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one
The XLogP value of 2.84907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one has 1 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-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one?
The CAS number of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one is 861644-37-3.
What is the molecular formula of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one?
The molecular formula of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one is C23H28N4O4S.
What is the molecular weight of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one?
The molecular weight of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one is 456.18 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one?
You can request a quote for 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-(2-oxo-2-(piperidin-1-yl)ethyl)-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.