![2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/7276/727689-92-1.webp)
2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 727689-92-1) is a chemical compound with molecular formula C21H18N2O2S2 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-benzylsulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-(benzylthio)-5-(5-methyl-2-furyl)thieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-2-(benzylthio)-5-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-allyl-6-(benzylthio)-3-(5-methyl-2-furyl)-1-thia-5,7-diaza-4(5H)-indenone
| Molecular Formula | C21H18N2O2S2 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 5.50472 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08096 |
| Heavy Atoms | 27 |
| Complexity | 1156.11 |
Chemical Identifiers
| CAS Number | 727689-92-1 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C |
Product Overview
2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 727689-92-1), with molecular formula C21H18N2O2S2 and molecular weight 394.08 g/mol. IUPAC: 2-benzylsulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 5.50472 indicates that 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-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 48.03 Ų, 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-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-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 727689-92-1.
What is the molecular formula of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is C21H18N2O2S2.
What is the molecular weight of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 394.08 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-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-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.