AF-399/41319147
TL;DR: AF-399/41319147 (CAS 371139-68-3) is a chemical compound with molecular formula C23H27N3O6S2 and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
Also Known As: AF-399/41319147, 4-{[4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide, 4-({4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-dimethylbenzenesulfonamide, 4-(4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C23H27N3O6S2 |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 1.7523 |
| Topological Polar Surface Area | 107.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.13412 |
| Heavy Atoms | 34 |
| Complexity | 1183.8036 |
Chemical Identifiers
| CAS Number | 371139-68-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CS4)/O |
Product Overview
AF-399/41319147 (CAS 371139-68-3), with molecular formula C23H27N3O6S2 and molecular weight 505.13 g/mol. IUPAC: 4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of AF-399/41319147
Property Insights of AF-399/41319147
The XLogP value of 1.7523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41319147. The TPSA of 107.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41319147. Following Lipinski's Rule of Five, AF-399/41319147 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41319147?
The CAS number of AF-399/41319147 is 371139-68-3.
What is the molecular formula of AF-399/41319147?
The molecular formula of AF-399/41319147 is C23H27N3O6S2.
What is the molecular weight of AF-399/41319147?
The molecular weight of AF-399/41319147 is 505.13 g/mol.
Where can I buy AF-399/41319147?
You can request a quote for AF-399/41319147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41319147?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41319147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.