2-Methylbutyl heptanoate
TL;DR: 2-Methylbutyl heptanoate (CAS 55630-93-8) 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.
2-methylbutyl heptanoate
Also Known As: 2-Methylbutyl heptanoate, (S)-2-Methylbutyl heptanoate, 2-methylbutyl hep-tanoate, 2-Methylbutyl heptanoate #, EINECS 259-526-6
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.3 |
| 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 | 55630-93-8 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(C)CC |
| InChIKey | NEYFHTHRJVQMPA-UHFFFAOYSA-N |
Product Overview
2-Methylbutyl heptanoate (CAS 55630-93-8), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 2-methylbutyl heptanoate.
Chemical Property Profile of 2-Methylbutyl heptanoate
Property Insights of 2-Methylbutyl heptanoate
The XLogP value of 4.3 indicates that 2-Methylbutyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbutyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl heptanoate 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 2-Methylbutyl heptanoate?
The CAS number of 2-Methylbutyl heptanoate is 55630-93-8.
What is the molecular formula of 2-Methylbutyl heptanoate?
The molecular formula of 2-Methylbutyl heptanoate is C12H24O2.
What is the molecular weight of 2-Methylbutyl heptanoate?
The molecular weight of 2-Methylbutyl heptanoate is 200.18 g/mol.
Where can I buy 2-Methylbutyl heptanoate?
You can request a quote for 2-Methylbutyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.