![3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione structure](/static/products/898/898608-11-2.png)
3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
TL;DR: 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 898608-11-2) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-6-(2-pyrrolidin-1-ylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 3-(furan-2-ylmethyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 898608-11-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CCN4CCCC4)CC5=CC=CO5 |
| InChIKey | WKFKCGKWWICLCM-UHFFFAOYSA-N |
Product Overview
3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 898608-11-2), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: 4-(furan-2-ylmethyl)-6-(2-pyrrolidin-1-ylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
Property Insights of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
The XLogP value of 3.7 indicates that 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione has 0 hydrogen bond donor(s) and 5 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)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The CAS number of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 898608-11-2.
What is the molecular formula of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is C22H27N3O3S.
What is the molecular weight of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 413.18 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
You can request a quote for 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione 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)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-1-(2-(pyrrolidin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.