1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-
TL;DR: 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- (CAS 78621-05-3) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3-[(dimethylamino)methyl]-1-oxaspiro[4.4]nonan-2-one
Also Known As: 4-(4-Chlorophenyl)-3-((dimethylamino)methyl)-1-oxaspiro(4.4)nonan-2-one, (Dimethylaminomethyl)-3 p-chlorophenyl-4 oxa-1 spiro(4.4)nonane-one-2 [French], 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-, (Dimethylaminomethyl)-3 p-chlorophenyl-4 oxa-1 spiro(4.4)nonane-one-2, 4-(4-chlorophenyl)-3-[(dimethylamino)methyl]-1-oxaspiro[4.4]nonan-2-one
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.471 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 520.09656 |
Chemical Identifiers
| CAS Number | 78621-05-3 |
|---|---|
| SMILES | CN(C)CC1C(C2(CCCC2)OC1=O)C3=CC=C(C=C3)Cl |
Product Overview
1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- (CAS 78621-05-3), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: 4-(4-chlorophenyl)-3-[(dimethylamino)methyl]-1-oxaspiro[4.4]nonan-2-one.
Chemical Property Profile of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-
Property Insights of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-
The XLogP value of 3.471 indicates that 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- has 0 hydrogen bond donor(s) and 3 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 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-?
The CAS number of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- is 78621-05-3.
What is the molecular formula of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-?
The molecular formula of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- is C17H22ClNO2.
What is the molecular weight of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-?
The molecular weight of 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- is 307.13 g/mol.
Where can I buy 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-?
You can request a quote for 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxaspiro(4.4)nonan-2-one, 4-(4-chlorophenyl)-3-((dimethylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.