AE-848/33856032
TL;DR: AE-848/33856032 (CAS 307341-27-1) is a chemical compound with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile
Also Known As: AE-848/33856032, F0306-0649, 2-((3-allyl-4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile, 2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile, 2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
| Molecular Formula | C17H13N3OS2 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 3.92668 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.05002 |
| Heavy Atoms | 23 |
| Complexity | 951.6143 |
Chemical Identifiers
| CAS Number | 307341-27-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=CC=C3 |
Product Overview
AE-848/33856032 (CAS 307341-27-1), with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol. IUPAC: 2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile.
Chemical Property Profile of AE-848/33856032
Property Insights of AE-848/33856032
The XLogP value of 3.92668 indicates that AE-848/33856032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, AE-848/33856032 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/33856032 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 AE-848/33856032?
The CAS number of AE-848/33856032 is 307341-27-1.
What is the molecular formula of AE-848/33856032?
The molecular formula of AE-848/33856032 is C17H13N3OS2.
What is the molecular weight of AE-848/33856032?
The molecular weight of AE-848/33856032 is 339.05 g/mol.
Where can I buy AE-848/33856032?
You can request a quote for AE-848/33856032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33856032?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33856032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.