![3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/3030/303017-77-8.webp)
3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 303017-77-8) is a chemical compound with molecular formula C16H12F2N2OS2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(difluoromethyl)sulfanyl]-5-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5-allyl-6-(difluoromethylthio)-3-phenyl-1-thia-5,7-diaza-4(5H)-indenone, 2-(difluoromethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H12F2N2OS2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 4.6257 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.03592 |
| Heavy Atoms | 23 |
| Complexity | 903.5794 |
Chemical Identifiers
| CAS Number | 303017-77-8 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SC(F)F)SC=C2C3=CC=CC=C3 |
Product Overview
3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 303017-77-8), with molecular formula C16H12F2N2OS2 and molecular weight 350.04 g/mol. IUPAC: 2-(difluoromethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.6257 indicates that 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one 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 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 303017-77-8.
What is the molecular formula of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is C16H12F2N2OS2.
What is the molecular weight of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 350.04 g/mol.
Where can I buy 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[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 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-((difluoromethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.