![[(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate structure](/static/products/706/70693-36-6.png)
[(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate
TL;DR: [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate (CAS 70693-36-6) is a chemical compound with molecular formula C25H48O4 and molecular weight 412.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate
Also Known As: [(3S)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] Dodecanoate|[(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate|Dodecanoic acid, mixed esters with 2-ethylhexanoic acid, 2,2,4-trimethyl-1,3-pentanediol and valeric acid
| Molecular Formula | C25H48O4 |
|---|---|
| Molecular Weight | 412.36 g/mol |
| LogP | 7.2347 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 412.35526 |
| Heavy Atoms | 29 |
| Complexity | 428.5393 |
Chemical Identifiers
| CAS Number | 70693-36-6 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(C)(C)[C@H](C(C)C)OC(=O)CCCC |
Product Overview
[(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate (CAS 70693-36-6), with molecular formula C25H48O4 and molecular weight 412.36 g/mol. IUPAC: [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate.
Chemical Property Profile of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate
Property Insights of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate
The XLogP value of 7.2347 indicates that [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate 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 [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate?
The CAS number of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate is 70693-36-6.
What is the molecular formula of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate?
The molecular formula of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate is C25H48O4.
What is the molecular weight of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate?
The molecular weight of [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate is 412.36 g/mol.
Where can I buy [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate?
You can request a quote for [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.