Heptyl 2-methylbutanoate
TL;DR: Heptyl 2-methylbutanoate (CAS 50862-12-9) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-methylbutanoate
Also Known As: Heptyl 2-methylbutyrate, heptyl 2-methylbutanoate, heptyl 2-methyl butyrate, Butanoic acid, 2-methyl-, heptyl ester, N-HEPTYL 2-METHYLBUTYRATE
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 50862-12-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C)CC |
| InChIKey | CSFWIAGTSVOEOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl 2-methylbutanoate (CAS 50862-12-9), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: heptyl 2-methylbutanoate.
Chemical Property Profile of Heptyl 2-methylbutanoate
Property Insights of Heptyl 2-methylbutanoate
The XLogP value of 4.4 indicates that Heptyl 2-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl 2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl 2-methylbutanoate?
The CAS number of Heptyl 2-methylbutanoate is 50862-12-9.
What is the molecular formula of Heptyl 2-methylbutanoate?
The molecular formula of Heptyl 2-methylbutanoate is C12H24O2.
What is the molecular weight of Heptyl 2-methylbutanoate?
The molecular weight of Heptyl 2-methylbutanoate is 200.18 g/mol.
Where can I buy Heptyl 2-methylbutanoate?
You can request a quote for Heptyl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.