2-Octyldodecyl octanoate
TL;DR: 2-Octyldodecyl octanoate (CAS 94277-31-3) is a chemical compound with molecular formula C28H56O2 and molecular weight 424.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyldodecyl octanoate
Also Known As: 2-Octyldodecyl octanoate, EINECS 304-614-2, Octanoic acid 2-octyldodecyl ester, 2-Octyldodecyl octanoate, EINECS 304-614-2, CID3024204, 94277-31-3, 304-614-2
| Molecular Formula | C28H56O2 |
|---|---|
| Molecular Weight | 424.43 g/mol |
| LogP | 9.7877 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 24 |
| Exact Mass | 424.42804 |
| Heavy Atoms | 30 |
| Complexity | 339.5308 |
Chemical Identifiers
| CAS Number | 94277-31-3 |
|---|---|
| SMILES | CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC |
Product Overview
2-Octyldodecyl octanoate (CAS 94277-31-3), with molecular formula C28H56O2 and molecular weight 424.43 g/mol. IUPAC: 2-octyldodecyl octanoate.
Chemical Property Profile of 2-Octyldodecyl octanoate
Property Insights of 2-Octyldodecyl octanoate
The XLogP value of 9.7877 indicates that 2-Octyldodecyl 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-Octyldodecyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyldodecyl 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-Octyldodecyl octanoate?
The CAS number of 2-Octyldodecyl octanoate is 94277-31-3.
What is the molecular formula of 2-Octyldodecyl octanoate?
The molecular formula of 2-Octyldodecyl octanoate is C28H56O2.
What is the molecular weight of 2-Octyldodecyl octanoate?
The molecular weight of 2-Octyldodecyl octanoate is 424.43 g/mol.
Where can I buy 2-Octyldodecyl octanoate?
You can request a quote for 2-Octyldodecyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyldodecyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyldodecyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.