![2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/912/91225-68-2.png)
2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 91225-68-2) is a chemical compound with molecular formula C9H9ClN2OS and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-Chloromethyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one, 2-(chloromethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one, IFLAB-BB F2117-0117, UPCMLD0ENAT5666740:001
| Molecular Formula | C9H9ClN2OS |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 2.2858 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.0124 |
| Heavy Atoms | 14 |
| Complexity | 516.9966 |
Chemical Identifiers
| CAS Number | 91225-68-2 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=C(NC2=O)CCl |
Product Overview
2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 91225-68-2), with molecular formula C9H9ClN2OS and molecular weight 228.01 g/mol. IUPAC: 2-(chloromethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 2.2858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-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)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one is 91225-68-2.
What is the molecular formula of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one is C9H9ClN2OS.
What is the molecular weight of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one is 228.01 g/mol.
Where can I buy 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(chloromethyl)-6-ethylthieno[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 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-6-ethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.