Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)
TL;DR: Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) (CAS 72133-63-2) is a chemical compound with molecular formula C20H22CaCl2N2O6 and molecular weight 496.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-(4-chlorobutoxy)pyridine-2-carboxylate)
Also Known As: ND-186H2 calcium salt, Calcium 5-(4-chlorobutoxy)picolinate (2:1), 2-Pyridinecarboxylic acid, 5-(4-chlorobutoxy)-, calcium salt, Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1), calcium 5-(4-chlorobutoxy)pyridine-2-carboxylate
| Molecular Formula | C20H22CaCl2N2O6 |
|---|---|
| Molecular Weight | 496.05 g/mol |
| LogP | 1.305 |
| Topological Polar Surface Area | 124.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.0481 |
| Heavy Atoms | 31 |
| Complexity | 697.7703 |
Chemical Identifiers
| CAS Number | 72133-63-2 |
|---|---|
| SMILES | C1=CC(=NC=C1OCCCCCl)C(=O)[O-].C1=CC(=NC=C1OCCCCCl)C(=O)[O-].[Ca+2] |
Product Overview
Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) (CAS 72133-63-2), with molecular formula C20H22CaCl2N2O6 and molecular weight 496.05 g/mol. IUPAC: calcium bis(5-(4-chlorobutoxy)pyridine-2-carboxylate).
Chemical Property Profile of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)
Property Insights of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)
The XLogP value of 1.305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1). The TPSA of 124.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1). Following Lipinski's Rule of Five, Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) 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 Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)?
The CAS number of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) is 72133-63-2.
What is the molecular formula of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)?
The molecular formula of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) is C20H22CaCl2N2O6.
What is the molecular weight of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)?
The molecular weight of Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) is 496.05 g/mol.
Where can I buy Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)?
You can request a quote for Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.