Etilefrine Pivalate
TL;DR: Etilefrine Pivalate (CAS 100696-30-8) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-(ethylamino)-1-hydroxyethyl]phenyl] 2,2-dimethylpropanoate
Also Known As: Etilefrine pivalate, Etilefrine, Pivalate d'etilefrine, Etilefrini pivalas, Pivalato de etilefrina
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 100696-30-8 |
|---|---|
| SMILES | CCNCC(C1=CC(=CC=C1)OC(=O)C(C)(C)C)O |
| InChIKey | DRMHNJGOEAYOIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etilefrine Pivalate (CAS 100696-30-8), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: [3-[2-(ethylamino)-1-hydroxyethyl]phenyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Etilefrine Pivalate
Property Insights of Etilefrine Pivalate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etilefrine Pivalate. With a topological polar surface area (TPSA) of 58.6 Ų, Etilefrine Pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etilefrine Pivalate has 2 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 Etilefrine Pivalate?
The CAS number of Etilefrine Pivalate is 100696-30-8.
What is the molecular formula of Etilefrine Pivalate?
The molecular formula of Etilefrine Pivalate is C15H23NO3.
What is the molecular weight of Etilefrine Pivalate?
The molecular weight of Etilefrine Pivalate is 265.17 g/mol.
Where can I buy Etilefrine Pivalate?
You can request a quote for Etilefrine Pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etilefrine Pivalate?
Yes, KEHONG BIO provides custom synthesis services for Etilefrine Pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.