![N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide structure](/static/products/6794/679425-40-2.webp)
N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide
TL;DR: N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide (CAS 679425-40-2) is a chemical compound with molecular formula C21H18BrN3O3S2 and molecular weight 503.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide, N-(4-bromophenyl)-2-((3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3 -d]pyrimidin-2-ylthio)]acetamide, N-(4-bromophenyl)-2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, N-(4-bromophenyl)-2-{[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C21H18BrN3O3S2 |
|---|---|
| Molecular Weight | 503.00 g/mol |
| LogP | 5.20944 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.9973 |
| Heavy Atoms | 30 |
| Complexity | 1261.6316 |
Chemical Identifiers
| CAS Number | 679425-40-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Br)CC4=CC=CO4)C |
Product Overview
N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide (CAS 679425-40-2), with molecular formula C21H18BrN3O3S2 and molecular weight 503.00 g/mol. IUPAC: N-(4-bromophenyl)-2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide
Property Insights of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide
The XLogP value of 5.20944 indicates that N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[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-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[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-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The CAS number of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide is 679425-40-2.
What is the molecular formula of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The molecular formula of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide is C21H18BrN3O3S2.
What is the molecular weight of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The molecular weight of N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide is 503.00 g/mol.
Where can I buy N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
You can request a quote for N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[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-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.