![3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/4579/457916-96-0.webp)
3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 457916-96-0) is a chemical compound with molecular formula C19H13N3O3S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: AS-871/41635767, 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one, 3-[(4-nitrophenyl)methyl]-5-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H13N3O3S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 4.0815 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.06775 |
| Heavy Atoms | 26 |
| Complexity | 1148.3419 |
Chemical Identifiers
| CAS Number | 457916-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 457916-96-0), with molecular formula C19H13N3O3S and molecular weight 363.07 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.0815 indicates that 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-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-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 457916-96-0.
What is the molecular formula of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is C19H13N3O3S.
What is the molecular weight of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 363.07 g/mol.
Where can I buy 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-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-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-nitrobenzyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.