C716-0018
TL;DR: C716-0018 (CAS 866809-02-1) is a chemical compound with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: C716-0018, F1604-0773, 2-{[5-(benzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide, 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide, N-(2-ethylphenyl)-2-((6-oxo-5-(phenylsulfonyl)-1,6-dihydropyrimidin-2-yl)thio)acetamide
| Molecular Formula | C20H19N3O4S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 2.8959 |
| Topological Polar Surface Area | 108.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.0817 |
| Heavy Atoms | 29 |
| Complexity | 1175.5856 |
Chemical Identifiers
| CAS Number | 866809-02-1 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
C716-0018 (CAS 866809-02-1), with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol. IUPAC: 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of C716-0018
Property Insights of C716-0018
The XLogP value of 2.8959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C716-0018. The TPSA of 108.99 Ų falls within the moderate polarity range, balancing permeability and solubility for C716-0018. Following Lipinski's Rule of Five, C716-0018 has 2 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 C716-0018?
The CAS number of C716-0018 is 866809-02-1.
What is the molecular formula of C716-0018?
The molecular formula of C716-0018 is C20H19N3O4S2.
What is the molecular weight of C716-0018?
The molecular weight of C716-0018 is 429.08 g/mol.
Where can I buy C716-0018?
You can request a quote for C716-0018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C716-0018?
Yes, KEHONG BIO provides custom synthesis services for C716-0018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.