RefChem:331398
TL;DR: RefChem:331398 (CAS 63867-28-7) is a chemical compound with molecular formula C48H64Cl2F2N2O5 and molecular weight 856.416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(1-(4-fluorophenyl)-4-[[4-methoxy-4-(3-methylphenyl)cyclohexyl]amino]butan-1-one);hydrate;dihydrochloride
Also Known As: Tai 998, KST-1B6939, cis-4'-Fluoro-4-((4-methoxy-4-m-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate, 1-(4-fluorophenyl)-4-{[4-methoxy-4-(3-methylphenyl)cyclohexyl]amino}butan-1-one hydrochloride hydrate(2:2:1), cis-N-(3-(p-Fluorobenzoyl)propyl)-4-methoxy-4-m-tolylcyclohexylamine hydrochloride hydrate
Technical Specifications
| Molecular Formula | C48H64Cl2F2N2O5 |
| Molecular Weight | 856.416 g/mol |
| XLogP | 10.36 |
| Topological Polar Surface Area (TPSA) | 77.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 856.416 Da |
| Heavy Atoms | 59 |
| Complexity | 481.0 |
| SMILES | CC1=CC(=CC=C1)C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC(=CC=C1)C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl |
| InChIKey | ZJZUVNPYNFGXSG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331398
Property Insights of RefChem:331398
The XLogP value of 10.36 indicates that RefChem:331398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331398. Following Lipinski's Rule of Five, RefChem:331398 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:331398?
The CAS number of RefChem:331398 is 63867-28-7.
What is the molecular formula of RefChem:331398?
The molecular formula of RefChem:331398 is C48H64Cl2F2N2O5.
What is the molecular weight of RefChem:331398?
The molecular weight of RefChem:331398 is 856.416 g/mol.
Where can I buy RefChem:331398?
You can request a quote for RefChem:331398 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331398?
Yes, CoreyChem provides custom synthesis services for RefChem:331398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.