![N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/4764/476484-95-4.webp)
N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
TL;DR: N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 476484-95-4) is a chemical compound with molecular formula C25H20BrF2N3O3S2 and molecular weight 591.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 648-721-5, N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H20BrF2N3O3S2 |
|---|---|
| Molecular Weight | 591.01 g/mol |
| LogP | 6.1061 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 591.00977 |
| Heavy Atoms | 36 |
| Complexity | 1513.5723 |
Chemical Identifiers
| CAS Number | 476484-95-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4Br)F)F)SC5=C3CCCC5 |
Product Overview
N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 476484-95-4), with molecular formula C25H20BrF2N3O3S2 and molecular weight 591.01 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
Property Insights of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 6.1061 indicates that N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)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-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The CAS number of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 476484-95-4.
What is the molecular formula of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular formula of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is C25H20BrF2N3O3S2.
What is the molecular weight of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular weight of N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 591.01 g/mol.
Where can I buy N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
You can request a quote for N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromo-4,6-difluorophenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.