![6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/7309/730976-52-0.webp)
6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 730976-52-0) is a chemical compound with molecular formula C10H9ClN2O2S and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2-(chloromethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 6-acetyl-2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one, 6-acetyl-2-(chloromethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one, 6-Acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno2,3-dpyrimidin-4-one, 6-acetyl-2-(chloromethyl)-5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine
| Molecular Formula | C10H9ClN2O2S |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 2.23442 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.00732 |
| Heavy Atoms | 16 |
| Complexity | 629.5161 |
Chemical Identifiers
| CAS Number | 730976-52-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)CCl)C(=O)C |
Product Overview
6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 730976-52-0), with molecular formula C10H9ClN2O2S and molecular weight 256.01 g/mol. IUPAC: 6-acetyl-2-(chloromethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 2.23442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 6-acetyl-2-(chloromethyl)-5-methyl-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 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 730976-52-0.
What is the molecular formula of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C10H9ClN2O2S.
What is the molecular weight of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 256.01 g/mol.
Where can I buy 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 6-acetyl-2-(chloromethyl)-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 6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-acetyl-2-(chloromethyl)-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.