![3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one structure](/static/products/3312/331275-50-4.webp)
3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
TL;DR: 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one (CAS 331275-50-4) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
Also Known As: BAS 00379930, AH-262/36680042, 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one, 3-(4-Nitro-phenyl)-6,7-dihydro-5H-1-thia-4a,8-diaza-s-indacen-4-one, 3-{4-nitrophenyl}-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 331275-50-4 |
|---|---|
| SMILES | C1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C1 |
| InChIKey | QIASRLUWHFIQNJ-UHFFFAOYSA-N |
Product Overview
3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one (CAS 331275-50-4), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 4-(4-nitrophenyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one.
Chemical Property Profile of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
Property Insights of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one has 0 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 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one is 331275-50-4.
What is the molecular formula of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one is C15H11N3O3S.
What is the molecular weight of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one is 313.05 g/mol.
Where can I buy 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-7,8-dihydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.