starbld0004747
TL;DR: starbld0004747 (CAS 852687-65-1) is a chemical compound with molecular formula C24H26N6OS and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
Also Known As: starbld0004747, N-(1-Cyanocyclohexyl)-2-((5-(pyridin-4-yl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanamide, N-(1-cyanocyclohexyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide, N-(1-cyanocyclohexyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
| Molecular Formula | C24H26N6OS |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 4.461 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.18887 |
| Heavy Atoms | 32 |
| Complexity | 1130.8912 |
Chemical Identifiers
| CAS Number | 852687-65-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3(CCCCC3)C#N)C4=CC=NC=C4 |
Product Overview
starbld0004747 (CAS 852687-65-1), with molecular formula C24H26N6OS and molecular weight 446.19 g/mol. IUPAC: N-(1-cyanocyclohexyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
Chemical Property Profile of starbld0004747
Property Insights of starbld0004747
The XLogP value of 4.461 indicates that starbld0004747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0004747. Following Lipinski's Rule of Five, starbld0004747 has 1 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 starbld0004747?
The CAS number of starbld0004747 is 852687-65-1.
What is the molecular formula of starbld0004747?
The molecular formula of starbld0004747 is C24H26N6OS.
What is the molecular weight of starbld0004747?
The molecular weight of starbld0004747 is 446.19 g/mol.
Where can I buy starbld0004747?
You can request a quote for starbld0004747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0004747?
Yes, KEHONG BIO provides custom synthesis services for starbld0004747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.