2-Octyldodecyl decanoate
TL;DR: 2-Octyldodecyl decanoate (CAS 22766-85-4) is a chemical compound with molecular formula C30H60O2 and molecular weight 452.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyldodecyl decanoate
Also Known As: 2-Octyldodecyl decanoate, Decanoic acid 2-octyldodecyl ester, Decanoic acid,2-octyldodecyl ester, 245-207-9, EINECS 245-207-9
| Molecular Formula | C30H60O2 |
|---|---|
| Molecular Weight | 452.46 g/mol |
| LogP | 13.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 27 |
| Exact Mass | 452.45932 |
| Heavy Atoms | 32 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 22766-85-4 |
|---|---|
| SMILES | CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCC |
| InChIKey | FABRFZGGMAHNCJ-UHFFFAOYSA-N |
Product Overview
2-Octyldodecyl decanoate (CAS 22766-85-4), with molecular formula C30H60O2 and molecular weight 452.46 g/mol. IUPAC: 2-octyldodecyl decanoate.
Chemical Property Profile of 2-Octyldodecyl decanoate
Property Insights of 2-Octyldodecyl decanoate
The XLogP value of 13.8 indicates that 2-Octyldodecyl decanoate 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 decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyldodecyl decanoate 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 decanoate?
The CAS number of 2-Octyldodecyl decanoate is 22766-85-4.
What is the molecular formula of 2-Octyldodecyl decanoate?
The molecular formula of 2-Octyldodecyl decanoate is C30H60O2.
What is the molecular weight of 2-Octyldodecyl decanoate?
The molecular weight of 2-Octyldodecyl decanoate is 452.46 g/mol.
Where can I buy 2-Octyldodecyl decanoate?
You can request a quote for 2-Octyldodecyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyldodecyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyldodecyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.