![2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/5711/571155-99-2.webp)
2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 571155-99-2) is a chemical compound with molecular formula C14H11ClN2OS and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, IDI1_008178, 2-Chloromethyl-5-p-tolyl-3H-thieno[2,3-d]pyrimidin-4-one, 2-(chloromethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one, 2-(chloromethyl)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C14H11ClN2OS |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 3.69882 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.02808 |
| Heavy Atoms | 19 |
| Complexity | 789.30634 |
Chemical Identifiers
| CAS Number | 571155-99-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CCl |
Product Overview
2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 571155-99-2), with molecular formula C14H11ClN2OS and molecular weight 290.03 g/mol. IUPAC: 2-(chloromethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.69882 indicates that 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-5-(4-methylphenyl)-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 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 571155-99-2.
What is the molecular formula of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is C14H11ClN2OS.
What is the molecular weight of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 290.03 g/mol.
Where can I buy 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(chloromethyl)-5-(4-methylphenyl)-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 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-5-(4-methylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.