Phenylbutazone calcium
TL;DR: Phenylbutazone calcium (CAS 70145-60-7) is a chemical compound with molecular formula C38H38CaN4O4 and molecular weight 654.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate)
Also Known As: Phenylbutazone calcium, Butazolidin calcium, Peralgin, Phenylbutazone calcium salt, Calcium phenylbutazone
| Molecular Formula | C38H38CaN4O4 |
|---|---|
| Molecular Weight | 654.25 g/mol |
| LogP | 5.71 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 654.2519 |
| Heavy Atoms | 47 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 70145-60-7 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Ca+2] |
| InChIKey | XMVFRSAMWBGRNR-UHFFFAOYSA-L |
Product Overview
Phenylbutazone calcium (CAS 70145-60-7), with molecular formula C38H38CaN4O4 and molecular weight 654.25 g/mol. IUPAC: calcium bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate).
Chemical Property Profile of Phenylbutazone calcium
Property Insights of Phenylbutazone calcium
The XLogP value of 5.71 indicates that Phenylbutazone calcium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylbutazone calcium. Following Lipinski's Rule of Five, Phenylbutazone calcium 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 Phenylbutazone calcium?
The CAS number of Phenylbutazone calcium is 70145-60-7.
What is the molecular formula of Phenylbutazone calcium?
The molecular formula of Phenylbutazone calcium is C38H38CaN4O4.
What is the molecular weight of Phenylbutazone calcium?
The molecular weight of Phenylbutazone calcium is 654.25 g/mol.
Where can I buy Phenylbutazone calcium?
You can request a quote for Phenylbutazone calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylbutazone calcium?
Yes, KEHONG BIO provides custom synthesis services for Phenylbutazone calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.