AF-399/40756920
TL;DR: AF-399/40756920 (CAS 379236-75-6) is a chemical compound with molecular formula C22H17FN2O3S2 and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: AF-399/40756920, 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, F1174-3050, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-5-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H17FN2O3S2 |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 5.32652 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.06647 |
| Heavy Atoms | 30 |
| Complexity | 1302.4141 |
Chemical Identifiers
| CAS Number | 379236-75-6 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)F)CC=C |
Product Overview
AF-399/40756920 (CAS 379236-75-6), with molecular formula C22H17FN2O3S2 and molecular weight 440.07 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AF-399/40756920
Property Insights of AF-399/40756920
The XLogP value of 5.32652 indicates that AF-399/40756920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756920. Following Lipinski's Rule of Five, AF-399/40756920 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 AF-399/40756920?
The CAS number of AF-399/40756920 is 379236-75-6.
What is the molecular formula of AF-399/40756920?
The molecular formula of AF-399/40756920 is C22H17FN2O3S2.
What is the molecular weight of AF-399/40756920?
The molecular weight of AF-399/40756920 is 440.07 g/mol.
Where can I buy AF-399/40756920?
You can request a quote for AF-399/40756920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756920?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.