Anticancer agent 83
TL;DR: Anticancer agent 83 (CAS 904815-29-8) is a chemical compound with molecular formula C20H19N5OS and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate
Also Known As: Anticancer agent 83, VU0609354-1, [4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate, 1-(4-isopropylphenyl)-5-methyl-N-(4-thiocyanatophenyl)-1H-1,2,3-triazole-4-carboxamide, N-[4-(cyanosulfanyl)phenyl]-5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 4.5246 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 984.7067 |
Chemical Identifiers
| CAS Number | 904815-29-8 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)SC#N |
Product Overview
Anticancer agent 83 (CAS 904815-29-8), with molecular formula C20H19N5OS and molecular weight 377.13 g/mol. IUPAC: [4-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]phenyl] thiocyanate.
Chemical Property Profile of Anticancer agent 83
Property Insights of Anticancer agent 83
The XLogP value of 4.5246 indicates that Anticancer agent 83 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Anticancer agent 83. Following Lipinski's Rule of Five, Anticancer agent 83 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 Anticancer agent 83?
The CAS number of Anticancer agent 83 is 904815-29-8.
What is the molecular formula of Anticancer agent 83?
The molecular formula of Anticancer agent 83 is C20H19N5OS.
What is the molecular weight of Anticancer agent 83?
The molecular weight of Anticancer agent 83 is 377.13 g/mol.
Where can I buy Anticancer agent 83?
You can request a quote for Anticancer agent 83 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anticancer agent 83?
Yes, KEHONG BIO provides custom synthesis services for Anticancer agent 83 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.