![N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide structure](/static/products/903/903857-19-2.png)
N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide
TL;DR: N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide (CAS 903857-19-2) 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.
N-phenyl-2-(5,11,11-trimethyl-4,6-dioxo-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-yl)acetamide
Also Known As: N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide, N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-3,4,6,9-tetrahydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl)acetamide
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.2517 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1188.1117 |
Chemical Identifiers
| CAS Number | 903857-19-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=O)N(C(=O)N3CC(=O)NC4=CC=CC=C4)C)C |
Product Overview
N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide (CAS 903857-19-2), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: N-phenyl-2-(5,11,11-trimethyl-4,6-dioxo-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-yl)acetamide.
Chemical Property Profile of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide
Property Insights of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide
The XLogP value of 2.2517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide. Following Lipinski's Rule of Five, N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-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 N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide?
The CAS number of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide is 903857-19-2.
What is the molecular formula of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide?
The molecular formula of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide is C20H21N3O4S.
What is the molecular weight of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide?
The molecular weight of N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide is 399.13 g/mol.
Where can I buy N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide?
You can request a quote for N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-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-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-2-(3,7,7-trimethyl-2,4-dioxo-2,3,4,6,7,9-hexahydro-1H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.