Heptane-1,7-diyl bis(2-ethylbutanoate)
TL;DR: Heptane-1,7-diyl bis(2-ethylbutanoate) (CAS 6312-99-8) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-ethylbutanoyloxy)heptyl 2-ethylbutanoate
Also Known As: heptane-1,7-diyl bis(2-ethylbutanoate), 7-(2-ethylbutanoyloxy)heptyl 2-ethylbutanoate
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 6312-99-8 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCCCCCCOC(=O)C(CC)CC |
| InChIKey | TXBLEFMJLPBWGE-UHFFFAOYSA-N |
Product Overview
Heptane-1,7-diyl bis(2-ethylbutanoate) (CAS 6312-99-8), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: 7-(2-ethylbutanoyloxy)heptyl 2-ethylbutanoate.
Chemical Property Profile of Heptane-1,7-diyl bis(2-ethylbutanoate)
Property Insights of Heptane-1,7-diyl bis(2-ethylbutanoate)
The XLogP value of 5.5 indicates that Heptane-1,7-diyl bis(2-ethylbutanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Heptane-1,7-diyl bis(2-ethylbutanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane-1,7-diyl bis(2-ethylbutanoate) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptane-1,7-diyl bis(2-ethylbutanoate)?
The CAS number of Heptane-1,7-diyl bis(2-ethylbutanoate) is 6312-99-8.
What is the molecular formula of Heptane-1,7-diyl bis(2-ethylbutanoate)?
The molecular formula of Heptane-1,7-diyl bis(2-ethylbutanoate) is C19H36O4.
What is the molecular weight of Heptane-1,7-diyl bis(2-ethylbutanoate)?
The molecular weight of Heptane-1,7-diyl bis(2-ethylbutanoate) is 328.26 g/mol.
Where can I buy Heptane-1,7-diyl bis(2-ethylbutanoate)?
You can request a quote for Heptane-1,7-diyl bis(2-ethylbutanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane-1,7-diyl bis(2-ethylbutanoate)?
Yes, KEHONG BIO provides custom synthesis services for Heptane-1,7-diyl bis(2-ethylbutanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.