NYAD-S19
TL;DR: NYAD-S19 (CAS 831241-19-1) is a chemical compound with molecular formula C26H28N4O4 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: NYAD-S19, F1739-0075, 5-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 5-(3-((3,4-dimethoxyphenethyl)amino)-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C26H28N4O4 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 2.6447 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.21106 |
| Heavy Atoms | 34 |
| Complexity | 1431.0168 |
Chemical Identifiers
| CAS Number | 831241-19-1 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CNCCC4=CC(=C(C=C4)OC)OC)O |
Product Overview
NYAD-S19 (CAS 831241-19-1), with molecular formula C26H28N4O4 and molecular weight 460.21 g/mol. IUPAC: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of NYAD-S19
Property Insights of NYAD-S19
The XLogP value of 2.6447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NYAD-S19. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for NYAD-S19. Following Lipinski's Rule of Five, NYAD-S19 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 NYAD-S19?
The CAS number of NYAD-S19 is 831241-19-1.
What is the molecular formula of NYAD-S19?
The molecular formula of NYAD-S19 is C26H28N4O4.
What is the molecular weight of NYAD-S19?
The molecular weight of NYAD-S19 is 460.21 g/mol.
Where can I buy NYAD-S19?
You can request a quote for NYAD-S19 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NYAD-S19?
Yes, KEHONG BIO provides custom synthesis services for NYAD-S19 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.