A3116/0132019
TL;DR: A3116/0132019 (CAS 577962-22-2) is a chemical compound with molecular formula C22H24ClN5OS and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A3116/0132019, N-(3-chloro-2-methylphenyl)-2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-2-methylphenyl)-2-((4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-2-methylphenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C22H24ClN5OS |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 5.53792 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.139 |
| Heavy Atoms | 30 |
| Complexity | 1017.6223 |
Chemical Identifiers
| CAS Number | 577962-22-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4 |
Product Overview
A3116/0132019 (CAS 577962-22-2), with molecular formula C22H24ClN5OS and molecular weight 441.14 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A3116/0132019
Property Insights of A3116/0132019
The XLogP value of 5.53792 indicates that A3116/0132019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3116/0132019. Following Lipinski's Rule of Five, A3116/0132019 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3116/0132019?
The CAS number of A3116/0132019 is 577962-22-2.
What is the molecular formula of A3116/0132019?
The molecular formula of A3116/0132019 is C22H24ClN5OS.
What is the molecular weight of A3116/0132019?
The molecular weight of A3116/0132019 is 441.14 g/mol.
Where can I buy A3116/0132019?
You can request a quote for A3116/0132019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3116/0132019?
Yes, KEHONG BIO provides custom synthesis services for A3116/0132019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.