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5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 4386-40-7) is a chemical compound with molecular formula C7H6N2OS and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-methylthieno[2,3-d]pyrimidin-4(3h)-one, Chloromalonaldehyde, 5-Methylthieno[2,3,d]pyrimidin-4(3H)-one, 5-methyl-3H-thieno[2,3-d]pyrimidin-4-one, 5-Methyl-3,4-dihydrothieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C7H6N2OS |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02008 |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 4386-40-7 |
|---|---|
| SMILES | CC1=CSC2=C1C(=O)NC=N2 |
| InChIKey | HRKYSEOOABTTCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 4386-40-7), with molecular formula C7H6N2OS and molecular weight 166.02 g/mol. IUPAC: 5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 3 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-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 4386-40-7.
What is the molecular formula of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C7H6N2OS.
What is the molecular weight of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 166.02 g/mol.
Where can I buy 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 5-methyl-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-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.