丙戊酸钙
TL;DR: 丙戊酸钙 (CAS 33433-82-8) is a chemical compound with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙戊酸钙
calcium bis(2-propylpentanoate)
Also Known As: Calcium valproate, Valontin, Valproate calcium, Valproic acid calcium salt, Calcium dipropylacetate
| Molecular Formula | C16H30CaO4 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.177 |
| Heavy Atoms | 21 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 33433-82-8 |
|---|---|
| SMILES | CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2] |
| InChIKey | PIZHURYFCSGTJX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙戊酸钙 (CAS 33433-82-8), with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol. IUPAC: calcium bis(2-propylpentanoate).
Chemical Property Profile of 丙戊酸钙
Property Insights of 丙戊酸钙
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙戊酸钙. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙戊酸钙. Following Lipinski's Rule of Five, 丙戊酸钙 has 0 hydrogen bond donor(s) and 4 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 丙戊酸钙?
The CAS number of 丙戊酸钙 is 33433-82-8.
What is the molecular formula of 丙戊酸钙?
The molecular formula of 丙戊酸钙 is C16H30CaO4.
What is the molecular weight of 丙戊酸钙?
The molecular weight of 丙戊酸钙 is 326.18 g/mol.
Where can I buy 丙戊酸钙?
You can request a quote for 丙戊酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙戊酸钙?
Yes, KEHONG BIO provides custom synthesis services for 丙戊酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.