2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)
TL;DR: 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) (CAS 169128-33-0) is a chemical compound with molecular formula C17H27N3O6 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[methyl(pentyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;oxalic acid
Also Known As: 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1), Carbamic acid, dimethyl-, 2-((methylpentylamino)methyl)-3-pyridinyl ester, ethanedioate (1:1), 3-Pyridinol, 2-((methylpentylamino)methyl)-, dimethylcarbamate, oxalate, [2-[[methyl(pentyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid, Oxalic acid--2-{[methyl(pentyl)amino]methyl}pyridin-3-yl dimethylcarbamate (1/1)
| Molecular Formula | C17H27N3O6 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 1.9196 |
| Topological Polar Surface Area | 120.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.18997 |
| Heavy Atoms | 26 |
| Complexity | 579.61584 |
Chemical Identifiers
| CAS Number | 169128-33-0 |
|---|---|
| SMILES | CCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C.C(=O)(C(=O)O)O |
Product Overview
2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) (CAS 169128-33-0), with molecular formula C17H27N3O6 and molecular weight 369.19 g/mol. IUPAC: [2-[[methyl(pentyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;oxalic acid.
Chemical Property Profile of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)
Property Insights of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)
The XLogP value of 1.9196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1). The TPSA of 120.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1). Following Lipinski's Rule of Five, 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) has 2 hydrogen bond donor(s) and 6 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 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)?
The CAS number of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) is 169128-33-0.
What is the molecular formula of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)?
The molecular formula of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) is C17H27N3O6.
What is the molecular weight of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)?
The molecular weight of 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) is 369.19 g/mol.
Where can I buy 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)?
You can request a quote for 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-((Methylpentylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.