RefChem:232596
TL;DR: RefChem:232596 (CAS 134070-08-9) is a chemical compound with molecular formula C20H30ClFN2O3 and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
Also Known As: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-(1,1-dimethylethyl)-8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-, monohydrochloride, 2-tert-butyl-8-[2-(4-fluorophenyl)ethyl]-1-hydroxy-1-methyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride, 3-tert-Butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one--hydrogen chloride (1/1), RefChem:232596
| Molecular Formula | C20H30ClFN2O3 |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 3.5838 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.1929 |
| Heavy Atoms | 27 |
| Complexity | 664.79956 |
Chemical Identifiers
| CAS Number | 134070-08-9 |
|---|---|
| SMILES | CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C(C)(C)C)O.Cl |
Product Overview
RefChem:232596 (CAS 134070-08-9), with molecular formula C20H30ClFN2O3 and molecular weight 400.19 g/mol. IUPAC: 3-tert-butyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
Chemical Property Profile of RefChem:232596
Property Insights of RefChem:232596
The XLogP value of 3.5838 indicates that RefChem:232596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.01 Ų, RefChem:232596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232596 has 1 hydrogen bond donor(s) and 4 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 RefChem:232596?
The CAS number of RefChem:232596 is 134070-08-9.
What is the molecular formula of RefChem:232596?
The molecular formula of RefChem:232596 is C20H30ClFN2O3.
What is the molecular weight of RefChem:232596?
The molecular weight of RefChem:232596 is 400.19 g/mol.
Where can I buy RefChem:232596?
You can request a quote for RefChem:232596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232596?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.