![3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/896/896834-73-4.png)
3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896834-73-4) is a chemical compound with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-5-(3-methoxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(furan-2-ylmethyl)-2-[(3-methoxypropyl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H25N3O3S |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.8166 |
| Topological Polar Surface Area | 69.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.16165 |
| Heavy Atoms | 27 |
| Complexity | 959.1613 |
Chemical Identifiers
| CAS Number | 896834-73-4 |
|---|---|
| SMILES | COCCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CO4 |
Product Overview
3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896834-73-4), with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol. IUPAC: 4-(furan-2-ylmethyl)-5-(3-methoxypropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 3.8166 indicates that 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-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)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 896834-73-4.
What is the molecular formula of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C20H25N3O3S.
What is the molecular weight of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 387.16 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-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)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-2-((3-methoxypropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.