F3394-0436
TL;DR: F3394-0436 (CAS 690645-15-9) is a chemical compound with molecular formula C26H24FN3O2S2 and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: F3394-0436, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-5-(4-fluorophenyl)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)-3-phenylthieno[2,3-d]pyrimidin-4-one, 6-[2-(1-azepanyl)-2-oxoethylthio]-3-(p-fluorophenyl)-5-phenyl-1-thia-5,7-diaza-4(5H)-indenone
| Molecular Formula | C26H24FN3O2S2 |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 5.748 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1294 |
| Heavy Atoms | 34 |
| Complexity | 1358.8273 |
Chemical Identifiers
| CAS Number | 690645-15-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2C5=CC=CC=C5 |
Product Overview
F3394-0436 (CAS 690645-15-9), with molecular formula C26H24FN3O2S2 and molecular weight 493.13 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F3394-0436
Property Insights of F3394-0436
The XLogP value of 5.748 indicates that F3394-0436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, F3394-0436 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F3394-0436 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 F3394-0436?
The CAS number of F3394-0436 is 690645-15-9.
What is the molecular formula of F3394-0436?
The molecular formula of F3394-0436 is C26H24FN3O2S2.
What is the molecular weight of F3394-0436?
The molecular weight of F3394-0436 is 493.13 g/mol.
Where can I buy F3394-0436?
You can request a quote for F3394-0436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0436?
Yes, KEHONG BIO provides custom synthesis services for F3394-0436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.