U-54494A
TL;DR: U-54494A (CAS 92953-41-8) is a chemical compound with molecular formula C18H24Cl2N2O and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide
Also Known As: U-54494A, U-54494A HYDROCHLORIDE, U 54494A, U 54494, U-54494
| Molecular Formula | C18H24Cl2N2O |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.12656 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 92953-41-8 |
|---|---|
| SMILES | CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | JUBNVWGVNWIXMB-IAGOWNOFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
U-54494A (CAS 92953-41-8), with molecular formula C18H24Cl2N2O and molecular weight 354.13 g/mol. IUPAC: 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide.
Chemical Property Profile of U-54494A
Property Insights of U-54494A
The XLogP value of 4.5 indicates that U-54494A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, U-54494A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, U-54494A has 0 hydrogen bond donor(s) and 2 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 U-54494A?
The CAS number of U-54494A is 92953-41-8.
What is the molecular formula of U-54494A?
The molecular formula of U-54494A is C18H24Cl2N2O.
What is the molecular weight of U-54494A?
The molecular weight of U-54494A is 354.13 g/mol.
Where can I buy U-54494A?
You can request a quote for U-54494A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U-54494A?
Yes, KEHONG BIO provides custom synthesis services for U-54494A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.