Trioctanoin-carboxyls-13C3
TL;DR: Trioctanoin-carboxyls-13C3 (CAS 65402-55-3) is a chemical compound with molecular formula C27H50O6 and molecular weight 473.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di((113C)octanoyloxy)propyl (113C)octanoate
Also Known As: Tricaprylin, Trioctanoin-carboxyls-13C3, Tricaprilin-13C3, Tricaprylin, C-13, Trioctanoin, C-13
| Molecular Formula | C27H50O6 |
|---|---|
| Molecular Weight | 473.37 g/mol |
| LogP | 7.0661 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Exact Mass | 473.3708 |
| Heavy Atoms | 33 |
| Complexity | 461.00327 |
Chemical Identifiers
| CAS Number | 65402-55-3 |
|---|---|
| SMILES | CCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCC)O[13C](=O)CCCCCCC |
Product Overview
Trioctanoin-carboxyls-13C3 (CAS 65402-55-3), with molecular formula C27H50O6 and molecular weight 473.37 g/mol. IUPAC: 2,3-di((113C)octanoyloxy)propyl (113C)octanoate.
Chemical Property Profile of Trioctanoin-carboxyls-13C3
Property Insights of Trioctanoin-carboxyls-13C3
The XLogP value of 7.0661 indicates that Trioctanoin-carboxyls-13C3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trioctanoin-carboxyls-13C3. Following Lipinski's Rule of Five, Trioctanoin-carboxyls-13C3 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trioctanoin-carboxyls-13C3?
The CAS number of Trioctanoin-carboxyls-13C3 is 65402-55-3.
What is the molecular formula of Trioctanoin-carboxyls-13C3?
The molecular formula of Trioctanoin-carboxyls-13C3 is C27H50O6.
What is the molecular weight of Trioctanoin-carboxyls-13C3?
The molecular weight of Trioctanoin-carboxyls-13C3 is 473.37 g/mol.
Where can I buy Trioctanoin-carboxyls-13C3?
You can request a quote for Trioctanoin-carboxyls-13C3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioctanoin-carboxyls-13C3?
Yes, KEHONG BIO provides custom synthesis services for Trioctanoin-carboxyls-13C3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.