Heptane-1,7-diyl bis(2-ethylhexanoate)
TL;DR: Heptane-1,7-diyl bis(2-ethylhexanoate) (CAS 6313-33-3) is a chemical compound with molecular formula C23H44O4 and molecular weight 384.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-ethylhexanoyloxy)heptyl 2-ethylhexanoate
Also Known As: heptane-1,7-diyl bis(2-ethylhexanoate), 7-(2-ethylhexanoyloxy)heptyl 2-ethylhexanoate, Hexanoic acid,2-ethyl-, 1,7-heptanediyl ester (9CI)
| Molecular Formula | C23H44O4 |
|---|---|
| Molecular Weight | 384.32 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 384.32397 |
| Heavy Atoms | 27 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 6313-33-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCCCCCCCOC(=O)C(CC)CCCC |
| InChIKey | ZNPAJLCPSHTKRI-UHFFFAOYSA-N |
Product Overview
Heptane-1,7-diyl bis(2-ethylhexanoate) (CAS 6313-33-3), with molecular formula C23H44O4 and molecular weight 384.32 g/mol. IUPAC: 7-(2-ethylhexanoyloxy)heptyl 2-ethylhexanoate.
Chemical Property Profile of Heptane-1,7-diyl bis(2-ethylhexanoate)
Property Insights of Heptane-1,7-diyl bis(2-ethylhexanoate)
The XLogP value of 7.7 indicates that Heptane-1,7-diyl bis(2-ethylhexanoate) 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-ethylhexanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptane-1,7-diyl bis(2-ethylhexanoate) 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-ethylhexanoate)?
The CAS number of Heptane-1,7-diyl bis(2-ethylhexanoate) is 6313-33-3.
What is the molecular formula of Heptane-1,7-diyl bis(2-ethylhexanoate)?
The molecular formula of Heptane-1,7-diyl bis(2-ethylhexanoate) is C23H44O4.
What is the molecular weight of Heptane-1,7-diyl bis(2-ethylhexanoate)?
The molecular weight of Heptane-1,7-diyl bis(2-ethylhexanoate) is 384.32 g/mol.
Where can I buy Heptane-1,7-diyl bis(2-ethylhexanoate)?
You can request a quote for Heptane-1,7-diyl bis(2-ethylhexanoate) 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-ethylhexanoate)?
Yes, KEHONG BIO provides custom synthesis services for Heptane-1,7-diyl bis(2-ethylhexanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.