![1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile structure](/static/products/4085/40859-37-8.webp)
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
TL;DR: 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (CAS 40859-37-8) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Also Known As: EINECS 255-117-1, EiM08-05790, 1-[3-(dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, 1-(3-(Dimethylamino)propyl)-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-[3-(dimethylamino)propyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C12H17N3O2 |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 0.6857 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.13208 |
| Heavy Atoms | 17 |
| Complexity | 497.6978 |
Chemical Identifiers
| CAS Number | 40859-37-8 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=C1C#N)O)CCCN(C)C |
Product Overview
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (CAS 40859-37-8), with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
Property Insights of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
The XLogP value of 0.6857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile. Following Lipinski's Rule of Five, 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile has 1 hydrogen bond donor(s) and 4 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-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The CAS number of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is 40859-37-8.
What is the molecular formula of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The molecular formula of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is C12H17N3O2.
What is the molecular weight of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The molecular weight of 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is 235.13 g/mol.
Where can I buy 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
You can request a quote for 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.