![2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide structure](/static/products/896/896827-97-7.png)
2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide
TL;DR: 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide (CAS 896827-97-7) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]acetamide
Also Known As: 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide, 2-[3-(4-Methoxy-phenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H,5H-10-thia-1,3-diaza-benzo[a]azulen-1-yl]- acetamide, 2-[3-(4-methoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 1.9767 |
| Topological Polar Surface Area | 96.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1171.3546 |
Chemical Identifiers
| CAS Number | 896827-97-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)N)SC4=C3CCCCC4 |
Product Overview
2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide (CAS 896827-97-7), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]acetamide.
Chemical Property Profile of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide
Property Insights of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide
The XLogP value of 1.9767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide. The TPSA of 96.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide. Following Lipinski's Rule of Five, 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)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-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
The CAS number of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is 896827-97-7.
What is the molecular formula of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
The molecular formula of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is C20H21N3O4S.
What is the molecular weight of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
The molecular weight of 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide is 399.13 g/mol.
Where can I buy 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
You can request a quote for 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[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 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.