1-Propanamine,N,N-dimethyl-3-(methylthio)
TL;DR: 1-Propanamine,N,N-dimethyl-3-(methylthio) (CAS 162739-47-1) is a chemical compound with molecular formula C19H19N3O9S and molecular weight 465.0842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-(2,4-dinitrophenyl)-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylate
Also Known As: 1-Propanamine,N,N-dimethyl-3-(methylthio), methyl 1-(2,4-dinitrophenyl)-4-{[(4-methylphenyl)sulfonyl]oxy}prolinate, methyl 1-(2,4-dinitrophenyl)-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylate, Methyl 1-(2,4-dinitrophenyl)-4-[(4-methylbenzene-1-sulfonyl)oxy]prolinate
Technical Specifications
| Molecular Formula | C19H19N3O9S |
| Molecular Weight | 465.0842 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.0842 Da |
| Heavy Atoms | 32 |
| Complexity | 811.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
| InChIKey | GGDHRBZBKSCHGZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propanamine,N,N-dimethyl-3-(methylthio)
Property Insights of 1-Propanamine,N,N-dimethyl-3-(methylthio)
The XLogP value of 3.2 indicates that 1-Propanamine,N,N-dimethyl-3-(methylthio) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting 1-Propanamine,N,N-dimethyl-3-(methylthio) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Propanamine,N,N-dimethyl-3-(methylthio) has 0 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 1-Propanamine,N,N-dimethyl-3-(methylthio)?
The CAS number of 1-Propanamine,N,N-dimethyl-3-(methylthio) is 162739-47-1.
What is the molecular formula of 1-Propanamine,N,N-dimethyl-3-(methylthio)?
The molecular formula of 1-Propanamine,N,N-dimethyl-3-(methylthio) is C19H19N3O9S.
What is the molecular weight of 1-Propanamine,N,N-dimethyl-3-(methylthio)?
The molecular weight of 1-Propanamine,N,N-dimethyl-3-(methylthio) is 465.0842 g/mol.
Where can I buy 1-Propanamine,N,N-dimethyl-3-(methylthio)?
You can request a quote for 1-Propanamine,N,N-dimethyl-3-(methylthio) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propanamine,N,N-dimethyl-3-(methylthio)?
Yes, CoreyChem provides custom synthesis services for 1-Propanamine,N,N-dimethyl-3-(methylthio) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.