![3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one structure](/static/products/896/896849-30-2.png)
3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one
TL;DR: 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one (CAS 896849-30-2) is a chemical compound with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-5-[2-(2-hydroxyethoxy)ethylamino]-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-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one, 3-(2-furanylmethyl)-2-[2-(2-hydroxyethoxy)ethylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one, 3-(2-furfuryl)-2-[2-(2-hydroxyethoxy)ethylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one, 3-(furan-2-ylmethyl)-2-((2-(2-hydroxyethoxy)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(furan-2-ylmethyl)-2-[2-(2-hydroxyethoxy)ethylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C20H25N3O4S |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 2.789 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.1566 |
| Heavy Atoms | 28 |
| Complexity | 977.6558 |
Chemical Identifiers
| CAS Number | 896849-30-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)NCCOCCO)CC4=CC=CO4 |
Product Overview
3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one (CAS 896849-30-2), with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol. IUPAC: 4-(furan-2-ylmethyl)-5-[2-(2-hydroxyethoxy)ethylamino]-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-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one
Property Insights of 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one
The XLogP value of 2.789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one. Following Lipinski's Rule of Five, 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one has 2 hydrogen bond donor(s) and 7 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-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one?
The CAS number of 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one is 896849-30-2.
What is the molecular formula of 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one?
The molecular formula of 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one is C20H25N3O4S.
What is the molecular weight of 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one?
The molecular weight of 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one is 403.16 g/mol.
Where can I buy 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one?
You can request a quote for 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-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-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Furan-2-ylmethyl-2-[2-(2-hydroxy-ethoxy)-ethylamino]-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[ a]azulen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.