![methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate structure](/static/products/898/898608-17-8.png)
methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
TL;DR: methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate (CAS 898608-17-8) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(furan-2-ylmethyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]acetate
Also Known As: methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate, methyl 2-(3-(furan-2-ylmethyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 2.3079 |
| Topological Polar Surface Area | 83.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 1104.0057 |
Chemical Identifiers
| CAS Number | 898608-17-8 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CC4=CC=CO4 |
Product Overview
methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate (CAS 898608-17-8), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: methyl 2-[4-(furan-2-ylmethyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]acetate.
Chemical Property Profile of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
Property Insights of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
The XLogP value of 2.3079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate. The TPSA of 83.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate. Following Lipinski's Rule of Five, methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate has 0 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 methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate?
The CAS number of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate is 898608-17-8.
What is the molecular formula of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate?
The molecular formula of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate is C19H20N2O5S.
What is the molecular weight of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate?
The molecular weight of methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate is 388.11 g/mol.
Where can I buy methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate?
You can request a quote for methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.