AF-399/40851550
TL;DR: AF-399/40851550 (CAS 379239-58-4) is a chemical compound with molecular formula C22H16F3N3O3S2 and molecular weight 491.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AF-399/40851550, F1174-3112, 2-((3-allyl-5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C22H16F3N3O3S2 |
|---|---|
| Molecular Weight | 491.06 g/mol |
| LogP | 5.6536 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.05853 |
| Heavy Atoms | 33 |
| Complexity | 1375.2881 |
Chemical Identifiers
| CAS Number | 379239-58-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)SC=C2C4=CC=CO4 |
Product Overview
AF-399/40851550 (CAS 379239-58-4), with molecular formula C22H16F3N3O3S2 and molecular weight 491.06 g/mol. IUPAC: 2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AF-399/40851550
Property Insights of AF-399/40851550
The XLogP value of 5.6536 indicates that AF-399/40851550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851550. Following Lipinski's Rule of Five, AF-399/40851550 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851550?
The CAS number of AF-399/40851550 is 379239-58-4.
What is the molecular formula of AF-399/40851550?
The molecular formula of AF-399/40851550 is C22H16F3N3O3S2.
What is the molecular weight of AF-399/40851550?
The molecular weight of AF-399/40851550 is 491.06 g/mol.
Where can I buy AF-399/40851550?
You can request a quote for AF-399/40851550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851550?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.