Sildenafil Impurity 94
TL;DR: Sildenafil Impurity 94 (CAS 226956-42-9) is a chemical compound with molecular formula C17H21ClN4O5S and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)carbamoyl]-4-ethoxybenzenesulfonyl chloride
Also Known As: Sildenafil Impurity 94, Sildenafil Impurity 203, 3-[(5-carbamoyl-1-methyl-3-propyl-pyrazol-4-yl)carbamoyl]-4-ethoxy-benzenesulfonyl Chloride, 3-((5-carbamoyl-1-methyl-3-propyl-1H-pyrazol-4-yl)carbamoyl)-4-ethoxybenzenesulfonyl chloride, 3-[[[5-(aminocarbonyl)-1-methyl-3-propyl-1H-pyrazol-4-yl]amino]carbonyl]-4-ethoxy-benzenesulfonyl chloride
| Molecular Formula | C17H21ClN4O5S |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 2.05 |
| Topological Polar Surface Area | 133.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.09213 |
| Heavy Atoms | 28 |
| Complexity | 1016.79535 |
Chemical Identifiers
| CAS Number | 226956-42-9 |
|---|---|
| SMILES | CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)Cl)OCC)C(=O)N)C |
Product Overview
Sildenafil Impurity 94 (CAS 226956-42-9), with molecular formula C17H21ClN4O5S and molecular weight 428.09 g/mol. IUPAC: 3-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)carbamoyl]-4-ethoxybenzenesulfonyl chloride.
Chemical Property Profile of Sildenafil Impurity 94
Property Insights of Sildenafil Impurity 94
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sildenafil Impurity 94. The TPSA of 133.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Sildenafil Impurity 94. Following Lipinski's Rule of Five, Sildenafil Impurity 94 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 Sildenafil Impurity 94?
The CAS number of Sildenafil Impurity 94 is 226956-42-9.
What is the molecular formula of Sildenafil Impurity 94?
The molecular formula of Sildenafil Impurity 94 is C17H21ClN4O5S.
What is the molecular weight of Sildenafil Impurity 94?
The molecular weight of Sildenafil Impurity 94 is 428.09 g/mol.
Where can I buy Sildenafil Impurity 94?
You can request a quote for Sildenafil Impurity 94 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sildenafil Impurity 94?
Yes, KEHONG BIO provides custom synthesis services for Sildenafil Impurity 94 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.