AF-399/41079654
TL;DR: AF-399/41079654 (CAS 496026-21-2) is a chemical compound with molecular formula C19H18FN3O2S2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-fluorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide
Also Known As: AF-399/41079654, 2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, 2-{[3-allyl-5-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide
| Molecular Formula | C19H18FN3O2S2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 3.6304 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.08246 |
| Heavy Atoms | 27 |
| Complexity | 1055.2423 |
Chemical Identifiers
| CAS Number | 496026-21-2 |
|---|---|
| SMILES | CN(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1CC=C |
Product Overview
AF-399/41079654 (CAS 496026-21-2), with molecular formula C19H18FN3O2S2 and molecular weight 403.08 g/mol. IUPAC: 2-[5-(4-fluorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide.
Chemical Property Profile of AF-399/41079654
Property Insights of AF-399/41079654
The XLogP value of 3.6304 indicates that AF-399/41079654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AF-399/41079654 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41079654 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41079654?
The CAS number of AF-399/41079654 is 496026-21-2.
What is the molecular formula of AF-399/41079654?
The molecular formula of AF-399/41079654 is C19H18FN3O2S2.
What is the molecular weight of AF-399/41079654?
The molecular weight of AF-399/41079654 is 403.08 g/mol.
Where can I buy AF-399/41079654?
You can request a quote for AF-399/41079654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41079654?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41079654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.