Nonanoic acid,2,2-diethyl
TL;DR: Nonanoic acid,2,2-diethyl (CAS 142761-43-1) is a chemical compound with molecular formula C22H26N6O5S and molecular weight 486.16855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine
Also Known As: Nonanoic acid,2,2-diethyl, 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(2-pyridinylmethyl)-, 1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine, 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-2-ylmethyl)benzene-1,3-diamine, N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-pyridin-2-ylmethyl-benzene-1,3-diamine
Technical Specifications
| Molecular Formula | C22H26N6O5S |
| Molecular Weight | 486.16855 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.16855 Da |
| Heavy Atoms | 34 |
| Complexity | 648.0 |
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=N3 |
| InChIKey | IBNAPGSCYPCZRO-UHFFFAOYSA-N |
Chemical Property Profile of Nonanoic acid,2,2-diethyl
Property Insights of Nonanoic acid,2,2-diethyl
The XLogP value of 4.2 indicates that Nonanoic acid,2,2-diethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Nonanoic acid,2,2-diethyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nonanoic acid,2,2-diethyl has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nonanoic acid,2,2-diethyl?
The CAS number of Nonanoic acid,2,2-diethyl is 142761-43-1.
What is the molecular formula of Nonanoic acid,2,2-diethyl?
The molecular formula of Nonanoic acid,2,2-diethyl is C22H26N6O5S.
What is the molecular weight of Nonanoic acid,2,2-diethyl?
The molecular weight of Nonanoic acid,2,2-diethyl is 486.16855 g/mol.
Where can I buy Nonanoic acid,2,2-diethyl?
You can request a quote for Nonanoic acid,2,2-diethyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nonanoic acid,2,2-diethyl?
Yes, CoreyChem provides custom synthesis services for Nonanoic acid,2,2-diethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.