AF-399/42018550
TL;DR: AF-399/42018550 (CAS 618422-39-2) is a chemical compound with molecular formula C28H34N2O6 and molecular weight 494.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: AF-399/42018550, 1-(2-diethylaminoethyl)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione, 1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C28H34N2O6 |
|---|---|
| Molecular Weight | 494.24 g/mol |
| LogP | 3.7907 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.2417 |
| Heavy Atoms | 36 |
| Complexity | 1186.5575 |
Chemical Identifiers
| CAS Number | 618422-39-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=C(C=C(C=C4)OC)OC |
Product Overview
AF-399/42018550 (CAS 618422-39-2), with molecular formula C28H34N2O6 and molecular weight 494.24 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42018550
Property Insights of AF-399/42018550
The XLogP value of 3.7907 indicates that AF-399/42018550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42018550. Following Lipinski's Rule of Five, AF-399/42018550 has 1 hydrogen bond donor(s) and 7 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-399/42018550?
The CAS number of AF-399/42018550 is 618422-39-2.
What is the molecular formula of AF-399/42018550?
The molecular formula of AF-399/42018550 is C28H34N2O6.
What is the molecular weight of AF-399/42018550?
The molecular weight of AF-399/42018550 is 494.24 g/mol.
Where can I buy AF-399/42018550?
You can request a quote for AF-399/42018550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42018550?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42018550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.