5-丁基吡啶甲酸钙盐
TL;DR: 5-丁基吡啶甲酸钙盐 (CAS 21813-99-0) is a chemical compound with molecular formula C20H24CaN2O4 and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-丁基吡啶甲酸钙盐
calcium bis(5-butylpyridine-2-carboxylate)
Also Known As: Calcium fusarate, CalciumFusarate, Calcium fusarinate, Calcium 5-butylpicolinate, Fusaric acid calcium salt
| Molecular Formula | C20H24CaN2O4 |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 1.1946 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1362 |
| Heavy Atoms | 27 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 21813-99-0 |
|---|---|
| SMILES | CCCCC1=CN=C(C=C1)C(=O)[O-].CCCCC1=CN=C(C=C1)C(=O)[O-].[Ca+2] |
| InChIKey | XMRLUNALKLDUPT-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-丁基吡啶甲酸钙盐 (CAS 21813-99-0), with molecular formula C20H24CaN2O4 and molecular weight 396.14 g/mol. IUPAC: calcium bis(5-butylpyridine-2-carboxylate).
Chemical Property Profile of 5-丁基吡啶甲酸钙盐
Property Insights of 5-丁基吡啶甲酸钙盐
The XLogP value of 1.1946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-丁基吡啶甲酸钙盐. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-丁基吡啶甲酸钙盐. Following Lipinski's Rule of Five, 5-丁基吡啶甲酸钙盐 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 5-丁基吡啶甲酸钙盐?
The CAS number of 5-丁基吡啶甲酸钙盐 is 21813-99-0.
What is the molecular formula of 5-丁基吡啶甲酸钙盐?
The molecular formula of 5-丁基吡啶甲酸钙盐 is C20H24CaN2O4.
What is the molecular weight of 5-丁基吡啶甲酸钙盐?
The molecular weight of 5-丁基吡啶甲酸钙盐 is 396.14 g/mol.
Where can I buy 5-丁基吡啶甲酸钙盐?
You can request a quote for 5-丁基吡啶甲酸钙盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-丁基吡啶甲酸钙盐?
Yes, KEHONG BIO provides custom synthesis services for 5-丁基吡啶甲酸钙盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.