AF-399/41319133
TL;DR: AF-399/41319133 (CAS 371116-75-5) is a chemical compound with molecular formula C29H31N3O5S and molecular weight 533.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Also Known As: AF-399/41319133, 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide, 4-[2-(4-TERT-BUTYLPHENYL)-4-HYDROXY-5-OXO-1-[(PYRIDIN-3-YL)METHYL]-2,5-DIHYDRO-1H-PYRROLE-3-CARBONYL]-N,N-DIMETHYLBENZENE-1-SULFONAMIDE, 4-{[2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C29H31N3O5S |
|---|---|
| Molecular Weight | 533.20 g/mol |
| LogP | 4.2513 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.1984 |
| Heavy Atoms | 38 |
| Complexity | 1488.5133 |
Chemical Identifiers
| CAS Number | 371116-75-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N(C)C)\O)/C(=O)C(=O)N2CC4=CN=CC=C4 |
Product Overview
AF-399/41319133 (CAS 371116-75-5), with molecular formula C29H31N3O5S and molecular weight 533.20 g/mol. IUPAC: 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of AF-399/41319133
Property Insights of AF-399/41319133
The XLogP value of 4.2513 indicates that AF-399/41319133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41319133. Following Lipinski's Rule of Five, AF-399/41319133 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-399/41319133?
The CAS number of AF-399/41319133 is 371116-75-5.
What is the molecular formula of AF-399/41319133?
The molecular formula of AF-399/41319133 is C29H31N3O5S.
What is the molecular weight of AF-399/41319133?
The molecular weight of AF-399/41319133 is 533.20 g/mol.
Where can I buy AF-399/41319133?
You can request a quote for AF-399/41319133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41319133?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41319133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.