新丙戊酯
TL;DR: 新丙戊酯 (CAS 77372-61-3) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新丙戊酯
2,2-dimethylpropanoyloxymethyl 2-propylpentanoate
Also Known As: Valproate pivoxil, Valproato pivoxil, Valproatum pivoxilum, (Pivaloyloxy)methyl 2-propylpentanoate, Valproate pivoxil [INN]
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 77372-61-3 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OCOC(=O)C(C)(C)C |
| InChIKey | DJEFRLDEQKSNLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新丙戊酯 (CAS 77372-61-3), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl 2-propylpentanoate.
Chemical Property Profile of 新丙戊酯
Property Insights of 新丙戊酯
The XLogP value of 4.3 indicates that 新丙戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 新丙戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新丙戊酯 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 新丙戊酯?
The CAS number of 新丙戊酯 is 77372-61-3.
What is the molecular formula of 新丙戊酯?
The molecular formula of 新丙戊酯 is C14H26O4.
What is the molecular weight of 新丙戊酯?
The molecular weight of 新丙戊酯 is 258.18 g/mol.
Where can I buy 新丙戊酯?
You can request a quote for 新丙戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新丙戊酯?
Yes, KEHONG BIO provides custom synthesis services for 新丙戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.