![2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile structure](/static/products/804/804514-58-7.png)
2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
TL;DR: 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile (CAS 804514-58-7) is a chemical compound with molecular formula C15H10FN3OS and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
Also Known As: 2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile, 2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]acetonitrile
| Molecular Formula | C15H10FN3OS |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 3.0961 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.05286 |
| Heavy Atoms | 21 |
| Complexity | 918.9722 |
Chemical Identifiers
| CAS Number | 804514-58-7 |
|---|---|
| SMILES | CC1=C(C2=C(S1)N=CN(C2=O)CC#N)C3=CC=C(C=C3)F |
Product Overview
2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile (CAS 804514-58-7), with molecular formula C15H10FN3OS and molecular weight 299.05 g/mol. IUPAC: 2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile.
Chemical Property Profile of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
Property Insights of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
The XLogP value of 3.0961 indicates that 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile has 0 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 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The CAS number of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile is 804514-58-7.
What is the molecular formula of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The molecular formula of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile is C15H10FN3OS.
What is the molecular weight of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The molecular weight of 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile is 299.05 g/mol.
Where can I buy 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile?
You can request a quote for 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.