![N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide structure](/static/products/6798/679803-57-7.webp)
N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide
TL;DR: N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide (CAS 679803-57-7) is a chemical compound with molecular formula C23H20BrN3O3S2 and molecular weight 529.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide, N-(3-bromophenyl)-2-((3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-bromophenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide, N-(3-bromophenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-bromophenyl)-2-{[4-(furan-2-ylmethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide
| Molecular Formula | C23H20BrN3O3S2 |
|---|---|
| Molecular Weight | 529.01 g/mol |
| LogP | 5.4714 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.01294 |
| Heavy Atoms | 32 |
| Complexity | 1344.7777 |
Chemical Identifiers
| CAS Number | 679803-57-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC(=O)NC5=CC(=CC=C5)Br |
Product Overview
N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide (CAS 679803-57-7), with molecular formula C23H20BrN3O3S2 and molecular weight 529.01 g/mol. IUPAC: N-(3-bromophenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide
Property Insights of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide
The XLogP value of 5.4714 indicates that N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide. Following Lipinski's Rule of Five, N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The CAS number of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide is 679803-57-7.
What is the molecular formula of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The molecular formula of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide is C23H20BrN3O3S2.
What is the molecular weight of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The molecular weight of N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide is 529.01 g/mol.
Where can I buy N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide?
You can request a quote for N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromophenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-2-ylthio)]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.