Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester
TL;DR: Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester (CAS 27027-16-3) is a chemical compound with molecular formula C20H22F2N2O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(5-fluoro-3-pyridinyl)methyl] octanedioate
Also Known As: Bis((5-fluoro-3-pyridinyl)methyl) octanedioate, bis[(5-fluoropyridin-3-yl)methyl] octanedioate, Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester, 1-Methyl-1,2-ethanediyl 5-fluoro-3-pyridinecarboxylate, Octanedioic acid,1,8-bis[(5-fluoro-3-pyridinyl)methyl] ester
| Molecular Formula | C20H22F2N2O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 392.15475 |
| Heavy Atoms | 28 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 27027-16-3 |
|---|---|
| SMILES | C1=C(C=NC=C1F)COC(=O)CCCCCCC(=O)OCC2=CC(=CN=C2)F |
| InChIKey | WQLSGPFQCDZDGT-UHFFFAOYSA-N |
Product Overview
Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester (CAS 27027-16-3), with molecular formula C20H22F2N2O4 and molecular weight 392.15 g/mol. IUPAC: bis[(5-fluoro-3-pyridinyl)methyl] octanedioate.
Chemical Property Profile of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester
Property Insights of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester. Following Lipinski's Rule of Five, Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester 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 Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester?
The CAS number of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester is 27027-16-3.
What is the molecular formula of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester?
The molecular formula of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester is C20H22F2N2O4.
What is the molecular weight of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester?
The molecular weight of Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester is 392.15 g/mol.
Where can I buy Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester?
You can request a quote for Octanedioic acid, 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 Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octanedioic acid, bis((5-fluoro-3-pyridinyl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.