2-Ethylbutyl 12-propanoyloxyoctadecanoate
TL;DR: 2-Ethylbutyl 12-propanoyloxyoctadecanoate (CAS 7702-50-3) is a chemical compound with molecular formula C27H52O4 and molecular weight 440.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl 12-propanoyloxyoctadecanoate
Also Known As: 2-ethylbutyl 12-propanoyloxyoctadecanoate, 2-Ethylbutyl 12-(propanoyloxy)octadecanoate
| Molecular Formula | C27H52O4 |
|---|---|
| Molecular Weight | 440.39 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 440.38657 |
| Heavy Atoms | 31 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 7702-50-3 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CC)OC(=O)CC |
| InChIKey | UMZQPDJSTHEQNY-UHFFFAOYSA-N |
Product Overview
2-Ethylbutyl 12-propanoyloxyoctadecanoate (CAS 7702-50-3), with molecular formula C27H52O4 and molecular weight 440.39 g/mol. IUPAC: 2-ethylbutyl 12-propanoyloxyoctadecanoate.
Chemical Property Profile of 2-Ethylbutyl 12-propanoyloxyoctadecanoate
Property Insights of 2-Ethylbutyl 12-propanoyloxyoctadecanoate
The XLogP value of 9.7 indicates that 2-Ethylbutyl 12-propanoyloxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Ethylbutyl 12-propanoyloxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl 12-propanoyloxyoctadecanoate 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 2-Ethylbutyl 12-propanoyloxyoctadecanoate?
The CAS number of 2-Ethylbutyl 12-propanoyloxyoctadecanoate is 7702-50-3.
What is the molecular formula of 2-Ethylbutyl 12-propanoyloxyoctadecanoate?
The molecular formula of 2-Ethylbutyl 12-propanoyloxyoctadecanoate is C27H52O4.
What is the molecular weight of 2-Ethylbutyl 12-propanoyloxyoctadecanoate?
The molecular weight of 2-Ethylbutyl 12-propanoyloxyoctadecanoate is 440.39 g/mol.
Where can I buy 2-Ethylbutyl 12-propanoyloxyoctadecanoate?
You can request a quote for 2-Ethylbutyl 12-propanoyloxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl 12-propanoyloxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl 12-propanoyloxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.