Calcium bucloxate
TL;DR: Calcium bucloxate (CAS 32808-53-0) is a chemical compound with molecular formula C32H36CaCl2O6 and molecular weight 626.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate)
Also Known As: Calcium bucloxate, Calcium esfar, Esfar calcium, Bucloxic acid calcium salt, Bucloxic acid calcium
| Molecular Formula | C32H36CaCl2O6 |
|---|---|
| Molecular Weight | 626.15 g/mol |
| LogP | 5.8202 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 626.1515 |
| Heavy Atoms | 41 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 32808-53-0 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.[Ca+2] |
| InChIKey | FKJKZQUQHXSBHB-UHFFFAOYSA-L |
Product Overview
Calcium bucloxate (CAS 32808-53-0), with molecular formula C32H36CaCl2O6 and molecular weight 626.15 g/mol. IUPAC: calcium bis(4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate).
Chemical Property Profile of Calcium bucloxate
Property Insights of Calcium bucloxate
The XLogP value of 5.8202 indicates that Calcium bucloxate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium bucloxate. Following Lipinski's Rule of Five, Calcium bucloxate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium bucloxate?
The CAS number of Calcium bucloxate is 32808-53-0.
What is the molecular formula of Calcium bucloxate?
The molecular formula of Calcium bucloxate is C32H36CaCl2O6.
What is the molecular weight of Calcium bucloxate?
The molecular weight of Calcium bucloxate is 626.15 g/mol.
Where can I buy Calcium bucloxate?
You can request a quote for Calcium bucloxate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium bucloxate?
Yes, KEHONG BIO provides custom synthesis services for Calcium bucloxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.