![2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide structure](/static/products/4764/476486-20-1.webp)
2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
TL;DR: 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide (CAS 476486-20-1) is a chemical compound with molecular formula C31H24ClN3O4S2 and molecular weight 601.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Also Known As: 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide, 2-((3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)P YRIMIDIN-2-YL)SULFANYL)-N-(2-METHOXYDIBENZO(B,D)FURAN-3-YL)ACETAMIDE, 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide, 2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-(2-methoxybenzo[3,4-b]benzo[d]furan-3-yl)acetamide
| Molecular Formula | C31H24ClN3O4S2 |
|---|---|
| Molecular Weight | 601.09 g/mol |
| LogP | 7.6182 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 601.08966 |
| Heavy Atoms | 41 |
| Complexity | 2027.9056 |
Chemical Identifiers
| CAS Number | 476486-20-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NC5=C(C6=C(S5)CCCC6)C(=O)N4C7=CC=C(C=C7)Cl |
Product Overview
2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide (CAS 476486-20-1), with molecular formula C31H24ClN3O4S2 and molecular weight 601.09 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
Chemical Property Profile of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
Property Insights of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
The XLogP value of 7.6182 indicates that 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
The CAS number of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is 476486-20-1.
What is the molecular formula of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
The molecular formula of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is C31H24ClN3O4S2.
What is the molecular weight of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
The molecular weight of 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is 601.09 g/mol.
Where can I buy 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
You can request a quote for 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.