2-Butoxyethyl heptanoate
TL;DR: 2-Butoxyethyl heptanoate (CAS 63136-60-7) is a chemical compound with molecular formula C13H26O3 and molecular weight 230.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethyl heptanoate
Also Known As: 2-butoxyethyl heptanoate, Heptanoic acid,2-butoxyethyl ester
| Molecular Formula | C13H26O3 |
|---|---|
| Molecular Weight | 230.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 230.1882 |
| Heavy Atoms | 16 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 63136-60-7 |
|---|---|
| SMILES | CCCCCCC(=O)OCCOCCCC |
| InChIKey | KZVONZSDPNHDRZ-UHFFFAOYSA-N |
Product Overview
2-Butoxyethyl heptanoate (CAS 63136-60-7), with molecular formula C13H26O3 and molecular weight 230.19 g/mol. IUPAC: 2-butoxyethyl heptanoate.
Chemical Property Profile of 2-Butoxyethyl heptanoate
Property Insights of 2-Butoxyethyl heptanoate
The XLogP value of 3.7 indicates that 2-Butoxyethyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butoxyethyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butoxyethyl heptanoate has 0 hydrogen bond donor(s) and 3 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-Butoxyethyl heptanoate?
The CAS number of 2-Butoxyethyl heptanoate is 63136-60-7.
What is the molecular formula of 2-Butoxyethyl heptanoate?
The molecular formula of 2-Butoxyethyl heptanoate is C13H26O3.
What is the molecular weight of 2-Butoxyethyl heptanoate?
The molecular weight of 2-Butoxyethyl heptanoate is 230.19 g/mol.
Where can I buy 2-Butoxyethyl heptanoate?
You can request a quote for 2-Butoxyethyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxyethyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxyethyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.