RefChem:217620
TL;DR: RefChem:217620 (CAS 54776-61-3) is a chemical compound with molecular formula C28H36ClFN4O4 and molecular weight 546.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide;hydrochloride
Also Known As: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N,N-dimethyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, hydrochloride, 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride, 8-{3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl}-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide--hydrogen chloride (1/1), RefChem:217620
| Molecular Formula | C28H36ClFN4O4 |
|---|---|
| Molecular Weight | 546.24 g/mol |
| LogP | 4.0498 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.2409 |
| Heavy Atoms | 38 |
| Complexity | 1103.5966 |
Chemical Identifiers
| CAS Number | 54776-61-3 |
|---|---|
| SMILES | CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl |
Product Overview
RefChem:217620 (CAS 54776-61-3), with molecular formula C28H36ClFN4O4 and molecular weight 546.24 g/mol. IUPAC: 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:217620
Property Insights of RefChem:217620
The XLogP value of 4.0498 indicates that RefChem:217620 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:217620. Following Lipinski's Rule of Five, RefChem:217620 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:217620?
The CAS number of RefChem:217620 is 54776-61-3.
What is the molecular formula of RefChem:217620?
The molecular formula of RefChem:217620 is C28H36ClFN4O4.
What is the molecular weight of RefChem:217620?
The molecular weight of RefChem:217620 is 546.24 g/mol.
Where can I buy RefChem:217620?
You can request a quote for RefChem:217620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217620?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.