RefChem:217617
TL;DR: RefChem:217617 (CAS 102395-20-0) is a chemical compound with molecular formula C30H40ClFN4O4 and molecular weight 574.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-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-diethyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, hydrochloride, N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride, N,N-Diethyl-8-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide--hydrogen chloride (1/1), RefChem:217617
| Molecular Formula | C30H40ClFN4O4 |
|---|---|
| Molecular Weight | 574.27 g/mol |
| LogP | 4.83 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.2722 |
| Heavy Atoms | 40 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 102395-20-0 |
|---|---|
| SMILES | CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl |
| InChIKey | PISFASLLWCKOGS-UHFFFAOYSA-N |
Product Overview
RefChem:217617 (CAS 102395-20-0), with molecular formula C30H40ClFN4O4 and molecular weight 574.27 g/mol. IUPAC: N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:217617
Property Insights of RefChem:217617
The XLogP value of 4.83 indicates that RefChem:217617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:217617. Following Lipinski's Rule of Five, RefChem:217617 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:217617?
The CAS number of RefChem:217617 is 102395-20-0.
What is the molecular formula of RefChem:217617?
The molecular formula of RefChem:217617 is C30H40ClFN4O4.
What is the molecular weight of RefChem:217617?
The molecular weight of RefChem:217617 is 574.27 g/mol.
Where can I buy RefChem:217617?
You can request a quote for RefChem:217617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217617?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.