![2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol structure](/static/products/1423/142354-85-6.webp)
2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
TL;DR: 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol (CAS 142354-85-6) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.06775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-nitrophenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AE-641/14714088, AF-399/34011013, C-5142087, 5-(3-nitrophenyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 2-{3-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Technical Specifications
| Molecular Formula | C16H13N3O3S |
| Molecular Weight | 327.06775 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.06775 Da |
| Heavy Atoms | 23 |
| Complexity | 547.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | PGKKSSRLXTZLGF-UHFFFAOYSA-N |
Chemical Property Profile of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Property Insights of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
The XLogP value of 3.4 indicates that 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol. Following Lipinski's Rule of Five, 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol 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
What is the CAS number of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol?
The CAS number of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol is 142354-85-6.
What is the molecular formula of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol?
The molecular formula of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol is C16H13N3O3S.
What is the molecular weight of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol?
The molecular weight of 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol is 327.06775 g/mol.
Where can I buy 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol?
You can request a quote for 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol?
Yes, CoreyChem provides custom synthesis services for 2-{3-Nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.