2-Octyldodecyl heptanoate
TL;DR: 2-Octyldodecyl heptanoate (CAS 94277-33-5) is a chemical compound with molecular formula C27H54O2 and molecular weight 410.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyldodecyl heptanoate
Also Known As: 2-Octyldodecyl heptanoate, EINECS 304-616-3, Heptanoic acid 2-octyldodecyl ester, 2-Octyldodecyl heptanoate, EINECS 304-616-3, CID3024206, 94277-33-5, 304-616-3
| Molecular Formula | C27H54O2 |
|---|---|
| Molecular Weight | 410.41 g/mol |
| LogP | 9.3976 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Exact Mass | 410.41238 |
| Heavy Atoms | 29 |
| Complexity | 326.49948 |
Chemical Identifiers
| CAS Number | 94277-33-5 |
|---|---|
| SMILES | CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCC |
Product Overview
2-Octyldodecyl heptanoate (CAS 94277-33-5), with molecular formula C27H54O2 and molecular weight 410.41 g/mol. IUPAC: 2-octyldodecyl heptanoate.
Chemical Property Profile of 2-Octyldodecyl heptanoate
Property Insights of 2-Octyldodecyl heptanoate
The XLogP value of 9.3976 indicates that 2-Octyldodecyl heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyldodecyl heptanoate 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 heptanoate?
The CAS number of 2-Octyldodecyl heptanoate is 94277-33-5.
What is the molecular formula of 2-Octyldodecyl heptanoate?
The molecular formula of 2-Octyldodecyl heptanoate is C27H54O2.
What is the molecular weight of 2-Octyldodecyl heptanoate?
The molecular weight of 2-Octyldodecyl heptanoate is 410.41 g/mol.
Where can I buy 2-Octyldodecyl heptanoate?
You can request a quote for 2-Octyldodecyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyldodecyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyldodecyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.