Propyl 2-methylbutanoate
TL;DR: Propyl 2-methylbutanoate (CAS 41882-44-4) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-methylbutanoate
Also Known As: Propyl 2-methylbutanoate, Propyl 2-methylbutyrate, Octadecyl polyacrylate, 2-Methyl-1-propylbutyrate, n-Propyl 2-methyl butyrate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 41882-44-4 |
|---|---|
| SMILES | CCCOC(=O)C(C)CC |
| InChIKey | TZFQMSDUSOTCJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-methylbutanoate (CAS 41882-44-4), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: propyl 2-methylbutanoate.
Chemical Property Profile of Propyl 2-methylbutanoate
Property Insights of Propyl 2-methylbutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-methylbutanoate has 0 hydrogen bond donor(s) and 2 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 Propyl 2-methylbutanoate?
The CAS number of Propyl 2-methylbutanoate is 41882-44-4.
What is the molecular formula of Propyl 2-methylbutanoate?
The molecular formula of Propyl 2-methylbutanoate is C8H16O2.
What is the molecular weight of Propyl 2-methylbutanoate?
The molecular weight of Propyl 2-methylbutanoate is 144.12 g/mol.
Where can I buy Propyl 2-methylbutanoate?
You can request a quote for Propyl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.