2-Nitro-5-pyridineboronic acid pinacol ester
TL;DR: 2-Nitro-5-pyridineboronic acid pinacol ester (CAS 1073371-93-3) is a chemical compound with molecular formula C30H27N3O5S2 and molecular weight 573.1392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-cyano-2-[5-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 2-Nitro-5-pyridineboronic acid pinacol ester, ethyl 2-[[2-cyano-2-[5-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C30H27N3O5S2 |
| Molecular Weight | 573.1392 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 573.1392 Da |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=C3N(C(=O)C(=CC4=CC=C(O4)C)S3)C5=CC=C(C=C5)C)C#N |
| InChIKey | AWZOESRFRAVCBX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitro-5-pyridineboronic acid pinacol ester
Property Insights of 2-Nitro-5-pyridineboronic acid pinacol ester
The XLogP value of 6.7 indicates that 2-Nitro-5-pyridineboronic acid pinacol ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting 2-Nitro-5-pyridineboronic acid pinacol ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Nitro-5-pyridineboronic acid pinacol ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Nitro-5-pyridineboronic acid pinacol ester?
The CAS number of 2-Nitro-5-pyridineboronic acid pinacol ester is 1073371-93-3.
What is the molecular formula of 2-Nitro-5-pyridineboronic acid pinacol ester?
The molecular formula of 2-Nitro-5-pyridineboronic acid pinacol ester is C30H27N3O5S2.
What is the molecular weight of 2-Nitro-5-pyridineboronic acid pinacol ester?
The molecular weight of 2-Nitro-5-pyridineboronic acid pinacol ester is 573.1392 g/mol.
Where can I buy 2-Nitro-5-pyridineboronic acid pinacol ester?
You can request a quote for 2-Nitro-5-pyridineboronic acid pinacol ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-5-pyridineboronic acid pinacol ester?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-5-pyridineboronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.