U 49524E
TL;DR: U 49524E (CAS 142013-44-3) is a chemical compound with molecular formula C26H33F3N2O4S and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
Also Known As: U 49524E, U-49524E, alpha,alpha,alpha Trifluoro-N-methyl-N-(2-pyrrolidinylcyclohexyl)-4-toluamide, 4-methylbenzenesulfonic acid;N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide, Benzamide, N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-4-(trifluoromethyl)-, trans-, mono(4-methylbenzenesulfonate)
| Molecular Formula | C26H33F3N2O4S |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 5.42612 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.2113 |
| Heavy Atoms | 36 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 142013-44-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F |
| InChIKey | QDGKADZKTKZNNB-GBNZRNLASA-N |
Product Overview
U 49524E (CAS 142013-44-3), with molecular formula C26H33F3N2O4S and molecular weight 526.21 g/mol. IUPAC: 4-methylbenzenesulfonic acid;N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide.
Chemical Property Profile of U 49524E
Property Insights of U 49524E
The XLogP value of 5.42612 indicates that U 49524E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for U 49524E. Following Lipinski's Rule of Five, U 49524E 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 U 49524E?
The CAS number of U 49524E is 142013-44-3.
What is the molecular formula of U 49524E?
The molecular formula of U 49524E is C26H33F3N2O4S.
What is the molecular weight of U 49524E?
The molecular weight of U 49524E is 526.21 g/mol.
Where can I buy U 49524E?
You can request a quote for U 49524E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U 49524E?
Yes, KEHONG BIO provides custom synthesis services for U 49524E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.