![N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide structure](/static/products/578/578745-54-7.png)
N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide
TL;DR: N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide (CAS 578745-54-7) is a chemical compound with molecular formula C27H24ClN3O5S and molecular weight 537.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[4-(3-chlorophenyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetamide
Also Known As: N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide, N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetamide
| Molecular Formula | C27H24ClN3O5S |
|---|---|
| Molecular Weight | 537.11 g/mol |
| LogP | 4.5599 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.11255 |
| Heavy Atoms | 37 |
| Complexity | 1681.4178 |
Chemical Identifiers
| CAS Number | 578745-54-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N(C2=O)C5=CC(=CC=C5)Cl |
Product Overview
N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide (CAS 578745-54-7), with molecular formula C27H24ClN3O5S and molecular weight 537.11 g/mol. IUPAC: N-(4-acetylphenyl)-2-[4-(3-chlorophenyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetamide.
Chemical Property Profile of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide
Property Insights of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide
The XLogP value of 4.5599 indicates that N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)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-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
The CAS number of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is 578745-54-7.
What is the molecular formula of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
The molecular formula of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is C27H24ClN3O5S.
What is the molecular weight of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
The molecular weight of N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is 537.11 g/mol.
Where can I buy N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
You can request a quote for N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)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-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-2-(3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.