AF-399/40851384
TL;DR: AF-399/40851384 (CAS 496027-90-8) is a chemical compound with molecular formula C28H25N3O5S3 and molecular weight 579.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/40851384, ethyl 4,5-dimethyl-2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate, F1174-3202, ethyl 4,5-dimethyl-2-(2-((5-(5-methylfuran-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(2-{[5-(5-methylfuran-2-yl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
| Molecular Formula | C28H25N3O5S3 |
|---|---|
| Molecular Weight | 579.10 g/mol |
| LogP | 6.60146 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 579.09564 |
| Heavy Atoms | 39 |
| Complexity | 1747.4523 |
Chemical Identifiers
| CAS Number | 496027-90-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(O4)C)C(=O)N2C5=CC=CC=C5 |
Product Overview
AF-399/40851384 (CAS 496027-90-8), with molecular formula C28H25N3O5S3 and molecular weight 579.10 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40851384
Property Insights of AF-399/40851384
The XLogP value of 6.60146 indicates that AF-399/40851384 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851384. Following Lipinski's Rule of Five, AF-399/40851384 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851384?
The CAS number of AF-399/40851384 is 496027-90-8.
What is the molecular formula of AF-399/40851384?
The molecular formula of AF-399/40851384 is C28H25N3O5S3.
What is the molecular weight of AF-399/40851384?
The molecular weight of AF-399/40851384 is 579.10 g/mol.
Where can I buy AF-399/40851384?
You can request a quote for AF-399/40851384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851384?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.