Compound ID 5833
TL;DR: Compound ID 5833 (CAS 875007-15-1) is a chemical compound with molecular formula C21H21N7O5S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-hydroxy-4-nitrophenyl)acetamide
Also Known As: Compound ID 5833, 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-hydroxy-4-nitro-phenyl)acetamide, 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-hydroxy-4-nitrophenyl)acetamide, 2-{[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-(2-hydroxy-4-nitrophenyl)acetamide, N-(2-hydroxy-4-nitrophenyl)-2-((4-morpholino-6-(phenylamino)-1,3,5-triazin-2-yl)thio)acetamide
| Molecular Formula | C21H21N7O5S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 2.7964 |
| Topological Polar Surface Area | 155.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.13248 |
| Heavy Atoms | 34 |
| Complexity | 1175.4288 |
Chemical Identifiers
| CAS Number | 875007-15-1 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O |
Product Overview
Compound ID 5833 (CAS 875007-15-1), with molecular formula C21H21N7O5S and molecular weight 483.13 g/mol. IUPAC: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-hydroxy-4-nitrophenyl)acetamide.
Chemical Property Profile of Compound ID 5833
Property Insights of Compound ID 5833
The XLogP value of 2.7964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Compound ID 5833. The TPSA of 155.64 Ų indicates high polarity, suggesting Compound ID 5833 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound ID 5833 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound ID 5833?
The CAS number of Compound ID 5833 is 875007-15-1.
What is the molecular formula of Compound ID 5833?
The molecular formula of Compound ID 5833 is C21H21N7O5S.
What is the molecular weight of Compound ID 5833?
The molecular weight of Compound ID 5833 is 483.13 g/mol.
Where can I buy Compound ID 5833?
You can request a quote for Compound ID 5833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound ID 5833?
Yes, KEHONG BIO provides custom synthesis services for Compound ID 5833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.