F0745-0698
TL;DR: F0745-0698 (CAS 356569-26-1) is a chemical compound with molecular formula C23H18N2O3S2 and molecular weight 434.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: F0745-0698, 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 5-allyl-6-[(2H-1,3-benzodioxol-5-yl)methylthio]-3-phenyl-1-thia-5,7-diaza-4(5H)-indenone
| Molecular Formula | C23H18N2O3S2 |
|---|---|
| Molecular Weight | 434.08 g/mol |
| LogP | 5.332 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.0759 |
| Heavy Atoms | 30 |
| Complexity | 1295.2949 |
Chemical Identifiers
| CAS Number | 356569-26-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CC=C5 |
Product Overview
F0745-0698 (CAS 356569-26-1), with molecular formula C23H18N2O3S2 and molecular weight 434.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F0745-0698
Property Insights of F0745-0698
The XLogP value of 5.332 indicates that F0745-0698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, F0745-0698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0745-0698 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0745-0698?
The CAS number of F0745-0698 is 356569-26-1.
What is the molecular formula of F0745-0698?
The molecular formula of F0745-0698 is C23H18N2O3S2.
What is the molecular weight of F0745-0698?
The molecular weight of F0745-0698 is 434.08 g/mol.
Where can I buy F0745-0698?
You can request a quote for F0745-0698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0745-0698?
Yes, KEHONG BIO provides custom synthesis services for F0745-0698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.