(+/-)-trans-U-50488 methanesulfonate salt
TL;DR: (+/-)-trans-U-50488 methanesulfonate salt (CAS 89752-00-1) is a chemical compound with molecular formula C20H30Cl2N2O4S and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid
Also Known As: Antifungin 4915, Lopac-D-8040, (+/-)-trans-U-50488 methanesulfonate salt, U-50488 methane sulfonate, (+)-U-50488 hydrochloride
| Molecular Formula | C20H30Cl2N2O4S |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 3.9053 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.13034 |
| Heavy Atoms | 29 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 89752-00-1 |
|---|---|
| SMILES | CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O |
| InChIKey | OJPHNZCUXUUVKU-JAXOOIEVSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+/-)-trans-U-50488 methanesulfonate salt (CAS 89752-00-1), with molecular formula C20H30Cl2N2O4S and molecular weight 464.13 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid.
Chemical Property Profile of (+/-)-trans-U-50488 methanesulfonate salt
Property Insights of (+/-)-trans-U-50488 methanesulfonate salt
The XLogP value of 3.9053 indicates that (+/-)-trans-U-50488 methanesulfonate salt 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 (+/-)-trans-U-50488 methanesulfonate salt. Following Lipinski's Rule of Five, (+/-)-trans-U-50488 methanesulfonate salt has 1 hydrogen bond donor(s) and 5 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 (+/-)-trans-U-50488 methanesulfonate salt?
The CAS number of (+/-)-trans-U-50488 methanesulfonate salt is 89752-00-1.
What is the molecular formula of (+/-)-trans-U-50488 methanesulfonate salt?
The molecular formula of (+/-)-trans-U-50488 methanesulfonate salt is C20H30Cl2N2O4S.
What is the molecular weight of (+/-)-trans-U-50488 methanesulfonate salt?
The molecular weight of (+/-)-trans-U-50488 methanesulfonate salt is 464.13 g/mol.
Where can I buy (+/-)-trans-U-50488 methanesulfonate salt?
You can request a quote for (+/-)-trans-U-50488 methanesulfonate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+/-)-trans-U-50488 methanesulfonate salt?
Yes, KEHONG BIO provides custom synthesis services for (+/-)-trans-U-50488 methanesulfonate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.