AF-399/40756795
TL;DR: AF-399/40756795 (CAS 379236-05-2) is a chemical compound with molecular formula C22H18N4O5S2 and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
Also Known As: AF-399/40756795, F1174-2978, 2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide, 2-{[5-(5-methylfuran-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide, 2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-nitrophenyl)acetamide
| Molecular Formula | C22H18N4O5S2 |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 4.85142 |
| Topological Polar Surface Area | 120.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.07187 |
| Heavy Atoms | 33 |
| Complexity | 1436.333 |
Chemical Identifiers
| CAS Number | 379236-05-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])CC=C |
Product Overview
AF-399/40756795 (CAS 379236-05-2), with molecular formula C22H18N4O5S2 and molecular weight 482.07 g/mol. IUPAC: 2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of AF-399/40756795
Property Insights of AF-399/40756795
The XLogP value of 4.85142 indicates that AF-399/40756795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756795. Following Lipinski's Rule of Five, AF-399/40756795 has 1 hydrogen bond donor(s) and 8 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-399/40756795?
The CAS number of AF-399/40756795 is 379236-05-2.
What is the molecular formula of AF-399/40756795?
The molecular formula of AF-399/40756795 is C22H18N4O5S2.
What is the molecular weight of AF-399/40756795?
The molecular weight of AF-399/40756795 is 482.07 g/mol.
Where can I buy AF-399/40756795?
You can request a quote for AF-399/40756795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756795?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.