![5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/4491/449191-83-7.webp)
5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 449191-83-7) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one
Also Known As: AS-871/41027693, 3-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one, 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one, 3-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)-3-hydrothiopheno[2,3-d]pyrimidin- 4-one, Cambridge id 6962569
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 4.38992 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1226.6045 |
Chemical Identifiers
| CAS Number | 449191-83-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 449191-83-7), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 3-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.38992 indicates that 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[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 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[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 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one is 449191-83-7.
What is the molecular formula of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one is C20H15N3O3S.
What is the molecular weight of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one is 377.08 g/mol.
Where can I buy 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[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 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-nitrophenyl}-3-(3-methylbenzyl)thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.