![2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide structure](/static/products/573/573697-59-3.png)
2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide
TL;DR: 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide (CAS 573697-59-3) is a chemical compound with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-chlorophenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide, 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methoxyphenyl)acetamide, 2-[3-(3-chlorophenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C25H22ClN3O4S |
|---|---|
| Molecular Weight | 495.10 g/mol |
| LogP | 4.3934 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.10196 |
| Heavy Atoms | 34 |
| Complexity | 1518.4336 |
Chemical Identifiers
| CAS Number | 573697-59-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC(=CC=C5)Cl |
Product Overview
2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide (CAS 573697-59-3), with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol. IUPAC: 2-[3-(3-chlorophenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide
Property Insights of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide
The XLogP value of 4.3934 indicates that 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 5 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 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide?
The CAS number of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide is 573697-59-3.
What is the molecular formula of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide?
The molecular formula of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide is C25H22ClN3O4S.
What is the molecular weight of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide?
The molecular weight of 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide is 495.10 g/mol.
Where can I buy 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide?
You can request a quote for 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)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-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.