AF-399/40991918
TL;DR: AF-399/40991918 (CAS 433261-75-7) is a chemical compound with molecular formula C20H16N2O7S and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40991918, methyl 2-[2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[2-(2-furyl)-4-hydroxy-3-(5-methyl-2-furoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{2-(furan-2-yl)-4-hydroxy-3-[(5-methylfuran-2-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C20H16N2O7S |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 3.51544 |
| Topological Polar Surface Area | 123.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0678 |
| Heavy Atoms | 30 |
| Complexity | 1185.8341 |
Chemical Identifiers
| CAS Number | 433261-75-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CO3)C4=NC(=C(S4)C(=O)OC)C)O |
Product Overview
AF-399/40991918 (CAS 433261-75-7), with molecular formula C20H16N2O7S and molecular weight 428.07 g/mol. IUPAC: methyl 2-[2-(furan-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40991918
Property Insights of AF-399/40991918
The XLogP value of 3.51544 indicates that AF-399/40991918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991918. Following Lipinski's Rule of Five, AF-399/40991918 has 1 hydrogen bond donor(s) and 9 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-399/40991918?
The CAS number of AF-399/40991918 is 433261-75-7.
What is the molecular formula of AF-399/40991918?
The molecular formula of AF-399/40991918 is C20H16N2O7S.
What is the molecular weight of AF-399/40991918?
The molecular weight of AF-399/40991918 is 428.07 g/mol.
Where can I buy AF-399/40991918?
You can request a quote for AF-399/40991918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991918?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.