![1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione structure](/static/products/899/899392-71-3.png)
1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
TL;DR: 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 899392-71-3) is a chemical compound with molecular formula C23H21FN2O3S and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-fluorophenyl)methyl]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C23H21FN2O3S |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 4.3223 |
| Topological Polar Surface Area | 57.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1257 |
| Heavy Atoms | 30 |
| Complexity | 1313.9795 |
Chemical Identifiers
| CAS Number | 899392-71-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC4=CC=C(C=C4)F)CC5=CC=CO5 |
Product Overview
1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 899392-71-3), with molecular formula C23H21FN2O3S and molecular weight 424.13 g/mol. IUPAC: 6-[(4-fluorophenyl)methyl]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Property Insights of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
The XLogP value of 4.3223 indicates that 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.14 Ų, 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione has 0 hydrogen bond donor(s) and 4 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 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The CAS number of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 899392-71-3.
What is the molecular formula of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular formula of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is C23H21FN2O3S.
What is the molecular weight of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular weight of 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 424.13 g/mol.
Where can I buy 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
You can request a quote for 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.