AF-399/40923352
TL;DR: AF-399/40923352 (CAS 496022-86-7) is a chemical compound with molecular formula C22H20FN3OS2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: AF-399/40923352, 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone, 2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-1-[1-(2-fluorophenyl)-2,5-d imethylpyrrol-3-yl]ethan-1-one
| Molecular Formula | C22H20FN3OS2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 5.82978 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.10318 |
| Heavy Atoms | 29 |
| Complexity | 1242.5652 |
Chemical Identifiers
| CAS Number | 496022-86-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC=NC4=C3C(=C(S4)C)C |
Product Overview
AF-399/40923352 (CAS 496022-86-7), with molecular formula C22H20FN3OS2 and molecular weight 425.10 g/mol. IUPAC: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of AF-399/40923352
Property Insights of AF-399/40923352
The XLogP value of 5.82978 indicates that AF-399/40923352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AF-399/40923352 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40923352 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 AF-399/40923352?
The CAS number of AF-399/40923352 is 496022-86-7.
What is the molecular formula of AF-399/40923352?
The molecular formula of AF-399/40923352 is C22H20FN3OS2.
What is the molecular weight of AF-399/40923352?
The molecular weight of AF-399/40923352 is 425.10 g/mol.
Where can I buy AF-399/40923352?
You can request a quote for AF-399/40923352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40923352?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40923352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.