Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)
TL;DR: Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) (CAS 2702-58-1) is a chemical compound with molecular formula C15H12F2N2O4 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-fluoropyridine-3-carbonyl)oxypropyl 5-fluoropyridine-3-carboxylate
Also Known As: 1,2-Propanediol, bis(5-fluoronicotinate), 1-Methyl-1,2-ethanediyl 5-fluoro-3-pyridinecarboxylate, propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate), 3-Pyridinecarboxylic acid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester, 2-(5-fluoropyridine-3-carbonyl)oxypropyl 5-fluoropyridine-3-carboxylate
| Molecular Formula | C15H12F2N2O4 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.0765 |
| Heavy Atoms | 23 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 2702-58-1 |
|---|---|
| SMILES | CC(COC(=O)C1=CC(=CN=C1)F)OC(=O)C2=CC(=CN=C2)F |
| InChIKey | ZBIBQGWYPMWCPN-UHFFFAOYSA-N |
Product Overview
Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) (CAS 2702-58-1), with molecular formula C15H12F2N2O4 and molecular weight 322.08 g/mol. IUPAC: 2-(5-fluoropyridine-3-carbonyl)oxypropyl 5-fluoropyridine-3-carboxylate.
Chemical Property Profile of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)
Property Insights of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate). The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate). Following Lipinski's Rule of Five, Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) has 0 hydrogen bond donor(s) and 8 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 Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)?
The CAS number of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) is 2702-58-1.
What is the molecular formula of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)?
The molecular formula of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) is C15H12F2N2O4.
What is the molecular weight of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)?
The molecular weight of Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) is 322.08 g/mol.
Where can I buy Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)?
You can request a quote for Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,2-diyl bis(5-fluoropyridine-3-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.