2-Dodecylhexadecyl octanoate
TL;DR: 2-Dodecylhexadecyl octanoate (CAS 94277-30-2) is a chemical compound with molecular formula C36H72O2 and molecular weight 536.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylhexadecyl octanoate
Also Known As: 2-Dodecylhexadecyl octanoate, 2-dodecylhexadecyloctanoate, EINECS 304-613-7, Octanoic acid 2-dodecylhexadecyl ester, 2-Dodecylhexadecyl octanoate, EINECS 304-613-7, CID3024203, 94277-30-2
| Molecular Formula | C36H72O2 |
|---|---|
| Molecular Weight | 536.55 g/mol |
| LogP | 12.9085 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 32 |
| Exact Mass | 536.5532 |
| Heavy Atoms | 38 |
| Complexity | 446.6232 |
Chemical Identifiers
| CAS Number | 94277-30-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(CCCCCCCCCCCC)COC(=O)CCCCCCC |
Product Overview
2-Dodecylhexadecyl octanoate (CAS 94277-30-2), with molecular formula C36H72O2 and molecular weight 536.55 g/mol. IUPAC: 2-dodecylhexadecyl octanoate.
Chemical Property Profile of 2-Dodecylhexadecyl octanoate
Property Insights of 2-Dodecylhexadecyl octanoate
The XLogP value of 12.9085 indicates that 2-Dodecylhexadecyl octanoate 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-Dodecylhexadecyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dodecylhexadecyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Dodecylhexadecyl octanoate?
The CAS number of 2-Dodecylhexadecyl octanoate is 94277-30-2.
What is the molecular formula of 2-Dodecylhexadecyl octanoate?
The molecular formula of 2-Dodecylhexadecyl octanoate is C36H72O2.
What is the molecular weight of 2-Dodecylhexadecyl octanoate?
The molecular weight of 2-Dodecylhexadecyl octanoate is 536.55 g/mol.
Where can I buy 2-Dodecylhexadecyl octanoate?
You can request a quote for 2-Dodecylhexadecyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecylhexadecyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecylhexadecyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.