![7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3285/328568-61-2.webp)
7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 328568-61-2) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-tert-butyl-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-(tert-butyl)-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 4.6614 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 929.0385 |
Chemical Identifiers
| CAS Number | 328568-61-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 328568-61-2), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: 7-tert-butyl-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.6614 indicates that 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one has 2 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 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is 328568-61-2.
What is the molecular formula of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is C20H23N3O3S.
What is the molecular weight of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is 385.15 g/mol.
Where can I buy 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-butyl-2-{3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.