BIM-0029574.P001
TL;DR: BIM-0029574.P001 (CAS 111853-34-0) is a chemical compound with molecular formula C18H18N4O5S and molecular weight 402.0998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: BIM-0029574.P001, ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ethyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ETHYL 6-[(CARBAMOYLMETHYL)SULFANYL]-5-CYANO-2-METHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C18H18N4O5S |
| Molecular Weight | 402.0998 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.0998 Da |
| Heavy Atoms | 28 |
| Complexity | 777.0 |
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCC(=O)N)C |
| InChIKey | JXRWEAOAYNRAJV-UHFFFAOYSA-N |
Chemical Property Profile of BIM-0029574.P001
Property Insights of BIM-0029574.P001
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0029574.P001. The TPSA of 176.0 Ų indicates high polarity, suggesting BIM-0029574.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0029574.P001 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BIM-0029574.P001?
The CAS number of BIM-0029574.P001 is 111853-34-0.
What is the molecular formula of BIM-0029574.P001?
The molecular formula of BIM-0029574.P001 is C18H18N4O5S.
What is the molecular weight of BIM-0029574.P001?
The molecular weight of BIM-0029574.P001 is 402.0998 g/mol.
Where can I buy BIM-0029574.P001?
You can request a quote for BIM-0029574.P001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BIM-0029574.P001?
Yes, CoreyChem provides custom synthesis services for BIM-0029574.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.