RefChem:331399
TL;DR: RefChem:331399 (CAS 63867-29-8) is a chemical compound with molecular formula C48H64Cl2F2N2O5 and molecular weight 856.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one);hydrate;dihydrochloride
Also Known As: KST-1B6940, trans-4'-Fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate, trans-N-(3-(p-Fluorobenzoyl)propyl)-4-methoxy-4-o-tolylcyclohexylamine hydrochloride hydrate, 1-(4-fluorophenyl)-4-{[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino}butan-1-one hydrochloride hydrate(2:2:1), Butyrophenone, 4'-fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)-, hydrochloride, hemihydrate, (E)-
| Molecular Formula | C48H64Cl2F2N2O5 |
|---|---|
| Molecular Weight | 856.42 g/mol |
| LogP | 10.36 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 856.416 |
| Heavy Atoms | 59 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 63867-29-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl |
| InChIKey | WWOFPCHIWHXPBF-UHFFFAOYSA-N |
Product Overview
RefChem:331399 (CAS 63867-29-8), with molecular formula C48H64Cl2F2N2O5 and molecular weight 856.42 g/mol. IUPAC: bis(1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one);hydrate;dihydrochloride.
Chemical Property Profile of RefChem:331399
Property Insights of RefChem:331399
The XLogP value of 10.36 indicates that RefChem:331399 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:331399. Following Lipinski's Rule of Five, RefChem:331399 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331399?
The CAS number of RefChem:331399 is 63867-29-8.
What is the molecular formula of RefChem:331399?
The molecular formula of RefChem:331399 is C48H64Cl2F2N2O5.
What is the molecular weight of RefChem:331399?
The molecular weight of RefChem:331399 is 856.42 g/mol.
Where can I buy RefChem:331399?
You can request a quote for RefChem:331399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331399?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.