2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate
TL;DR: 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate (CAS 169128-35-2) 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(3-methylbutyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;oxalic acid
Also Known As: 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate, Benzenehexanoic acid,2,5-dimethoxy-,methyl ester, Carbamic acid, dimethyl-, 2-((methyl(3-methylbutyl)amino)methyl)-3-pyridinyl ester, ethanedioate (1:1), [2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate;oxalic acid, h-ala-asn-pro-asp-cys-lys-thr-ile-leu-lys-ala-leu-gly-pro-ala-ala-thr-oh
| Molecular Formula | C17H27N3O6 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 1.7755 |
| Topological Polar Surface Area | 120.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.18997 |
| Heavy Atoms | 26 |
| Complexity | 591.91595 |
Chemical Identifiers
| CAS Number | 169128-35-2 |
|---|---|
| SMILES | CC(C)CCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C.C(=O)(C(=O)O)O |
Product Overview
2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate (CAS 169128-35-2), with molecular formula C17H27N3O6 and molecular weight 369.19 g/mol. IUPAC: [2-[[methyl(3-methylbutyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;oxalic acid.
Chemical Property Profile of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate
Property Insights of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate
The XLogP value of 1.7755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate. The TPSA of 120.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate. Following Lipinski's Rule of Five, 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate 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-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate?
The CAS number of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate is 169128-35-2.
What is the molecular formula of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate?
The molecular formula of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate is C17H27N3O6.
What is the molecular weight of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate?
The molecular weight of 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate is 369.19 g/mol.
Where can I buy 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate?
You can request a quote for 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.