Ro 18-3981
TL;DR: Ro 18-3981 (CAS 103295-92-7) is a chemical compound with molecular formula C24H33N3O8S and molecular weight 523.19885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)acetyl]-1,4-dihydropyridine-3-carboxylate
Also Known As: Ro 18-3981, Ro-18-3981, 2-Propoxyethyl-1,4-dihydro-5-((isopropylsulfamoyl)acetyl)-2,6-dimethyl-4-(3-nitrophenyl)nicotinate, 2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)acetyl]-1,4-dihydropyridine-3-carboxylate, 3-Pyridinecarboxylicacid,1,4-dihydro-2,6-dimethyl-5-[2-[[(1-methylethyl)amino]sulfonyl]acetyl]-4-(3-nitrophenyl)-,2-propoxyethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H33N3O8S |
| Molecular Weight | 523.19885 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 523.19885 Da |
| Heavy Atoms | 36 |
| Complexity | 992.0 |
| SMILES | CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)NC(C)C)C)C |
| InChIKey | VEZRCCZBPXTSNZ-UHFFFAOYSA-N |
Chemical Property Profile of Ro 18-3981
Property Insights of Ro 18-3981
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 18-3981. The TPSA of 165.0 Ų indicates high polarity, suggesting Ro 18-3981 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro 18-3981 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ro 18-3981?
The CAS number of Ro 18-3981 is 103295-92-7.
What is the molecular formula of Ro 18-3981?
The molecular formula of Ro 18-3981 is C24H33N3O8S.
What is the molecular weight of Ro 18-3981?
The molecular weight of Ro 18-3981 is 523.19885 g/mol.
Where can I buy Ro 18-3981?
You can request a quote for Ro 18-3981 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 18-3981?
Yes, CoreyChem provides custom synthesis services for Ro 18-3981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.