AF-399/41079648
TL;DR: AF-399/41079648 (CAS 496027-35-1) is a chemical compound with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
Also Known As: AF-399/41079648, 2-[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide, 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide, 2-(5,6-dimethyl-4-oxo-3-phenyl(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio))-N,N -dimethylacetamide
| Molecular Formula | C18H19N3O2S2 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 3.24434 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.09186 |
| Heavy Atoms | 25 |
| Complexity | 990.9641 |
Chemical Identifiers
| CAS Number | 496027-35-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)C)C3=CC=CC=C3)C |
Product Overview
AF-399/41079648 (CAS 496027-35-1), with molecular formula C18H19N3O2S2 and molecular weight 373.09 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide.
Chemical Property Profile of AF-399/41079648
Property Insights of AF-399/41079648
The XLogP value of 3.24434 indicates that AF-399/41079648 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-399/41079648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41079648 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-399/41079648?
The CAS number of AF-399/41079648 is 496027-35-1.
What is the molecular formula of AF-399/41079648?
The molecular formula of AF-399/41079648 is C18H19N3O2S2.
What is the molecular weight of AF-399/41079648?
The molecular weight of AF-399/41079648 is 373.09 g/mol.
Where can I buy AF-399/41079648?
You can request a quote for AF-399/41079648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41079648?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41079648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.