2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester
TL;DR: 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester (CAS 23763-97-5) is a chemical compound with molecular formula C16H12F2N2O4 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(5-fluoro-3-pyridinyl)methyl] (E)-but-2-enedioate
Also Known As: Bis((5-fluoro-3-pyridinyl)methyl) (E)-2-butenedioate, 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester, bis[(5-fluoropyridin-3-yl)methyl] (E)-but-2-enedioate, RefChem:1062599, BRN 1553372
| Molecular Formula | C16H12F2N2O4 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 2.0976 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.0765 |
| Heavy Atoms | 24 |
| Complexity | 701.74756 |
Chemical Identifiers
| CAS Number | 23763-97-5 |
|---|---|
| SMILES | C1=C(C=NC=C1F)COC(=O)/C=C/C(=O)OCC2=CC(=CN=C2)F |
Product Overview
2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester (CAS 23763-97-5), with molecular formula C16H12F2N2O4 and molecular weight 334.08 g/mol. IUPAC: bis[(5-fluoro-3-pyridinyl)methyl] (E)-but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester
Property Insights of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester
The XLogP value of 2.0976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester. Following Lipinski's Rule of Five, 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester has 0 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 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester?
The CAS number of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester is 23763-97-5.
What is the molecular formula of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester?
The molecular formula of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester is C16H12F2N2O4.
What is the molecular weight of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester?
The molecular weight of 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester is 334.08 g/mol.
Where can I buy 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester?
You can request a quote for 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.