Pentobarbital Calcium
TL;DR: Pentobarbital Calcium (CAS 3330-47-0) is a chemical compound with molecular formula C22H34CaN4O6 and molecular weight 490.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate)
Also Known As: Pentobarbital calcium, Repocal, Ravona, Nembutal calcium, Neodorm
| Molecular Formula | C22H34CaN4O6 |
|---|---|
| Molecular Weight | 490.21 g/mol |
| LogP | 1.2744 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.21042 |
| Heavy Atoms | 33 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 3330-47-0 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)N=C1[O-])CC.CCCC(C)C1(C(=O)NC(=O)N=C1[O-])CC.[Ca+2] |
| InChIKey | VBJLHIJEIVBIHF-UHFFFAOYSA-L |
Product Overview
Pentobarbital Calcium (CAS 3330-47-0), with molecular formula C22H34CaN4O6 and molecular weight 490.21 g/mol. IUPAC: calcium bis(5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate).
Chemical Property Profile of Pentobarbital Calcium
Property Insights of Pentobarbital Calcium
The XLogP value of 1.2744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentobarbital Calcium. The TPSA of 163.0 Ų indicates high polarity, suggesting Pentobarbital Calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentobarbital Calcium has 2 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 Pentobarbital Calcium?
The CAS number of Pentobarbital Calcium is 3330-47-0.
What is the molecular formula of Pentobarbital Calcium?
The molecular formula of Pentobarbital Calcium is C22H34CaN4O6.
What is the molecular weight of Pentobarbital Calcium?
The molecular weight of Pentobarbital Calcium is 490.21 g/mol.
Where can I buy Pentobarbital Calcium?
You can request a quote for Pentobarbital Calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentobarbital Calcium?
Yes, KEHONG BIO provides custom synthesis services for Pentobarbital Calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.