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5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 17537-76-7) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one, BAS 06105379, BIM-0036151.P001, 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 17537-76-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 |
| InChIKey | VCWRNMKIIYUFIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 17537-76-7), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 4 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-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 17537-76-7.
What is the molecular formula of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is C13H10N2O2S.
What is the molecular weight of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 258.05 g/mol.
Where can I buy 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.