NYAD-S14
TL;DR: NYAD-S14 (CAS 831177-54-9) is a chemical compound with molecular formula C27H29N5O2 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: NYAD-S14, AB01280012-01, 5-{2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, F1739-0082, 5-(2-hydroxy-3-(4-(o-tolyl)piperazin-1-yl)propyl)-3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C27H29N5O2 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 2.92582 |
| Topological Polar Surface Area | 76.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.23212 |
| Heavy Atoms | 34 |
| Complexity | 1453.9204 |
Chemical Identifiers
| CAS Number | 831177-54-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CC(CN3C4=CC=CC=C4N5C3=C(C(=CC5=O)C)C#N)O |
Product Overview
NYAD-S14 (CAS 831177-54-9), with molecular formula C27H29N5O2 and molecular weight 455.23 g/mol. IUPAC: 5-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of NYAD-S14
Property Insights of NYAD-S14
The XLogP value of 2.92582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NYAD-S14. The TPSA of 76.91 Ų falls within the moderate polarity range, balancing permeability and solubility for NYAD-S14. Following Lipinski's Rule of Five, NYAD-S14 has 1 hydrogen bond donor(s) and 5 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-S14?
The CAS number of NYAD-S14 is 831177-54-9.
What is the molecular formula of NYAD-S14?
The molecular formula of NYAD-S14 is C27H29N5O2.
What is the molecular weight of NYAD-S14?
The molecular weight of NYAD-S14 is 455.23 g/mol.
Where can I buy NYAD-S14?
You can request a quote for NYAD-S14 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NYAD-S14?
Yes, KEHONG BIO provides custom synthesis services for NYAD-S14 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.