EINECS 251-198-2
TL;DR: EINECS 251-198-2 (CAS 32753-14-3) is a chemical compound with molecular formula C30H54O8 and molecular weight 542.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(butanoyloxymethyl)-3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate
Also Known As: Pentaerythrityl triheptanoate butyrate, Pentaerythritol monobutyrate triheptanoate, 2-((1-Oxobutoxy)methyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate, 3-(butyryloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate, [2-(butanoyloxymethyl)-3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate
| Molecular Formula | C30H54O8 |
|---|---|
| Molecular Weight | 542.38 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Exact Mass | 542.3819 |
| Heavy Atoms | 38 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 32753-14-3 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCCCCC)COC(=O)CCCCCC |
| InChIKey | DHTLVXVGJKYARR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 251-198-2 (CAS 32753-14-3), with molecular formula C30H54O8 and molecular weight 542.38 g/mol. IUPAC: [2-(butanoyloxymethyl)-3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate.
Chemical Property Profile of EINECS 251-198-2
Property Insights of EINECS 251-198-2
The XLogP value of 8.1 indicates that EINECS 251-198-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 251-198-2. Following Lipinski's Rule of Five, EINECS 251-198-2 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 251-198-2?
The CAS number of EINECS 251-198-2 is 32753-14-3.
What is the molecular formula of EINECS 251-198-2?
The molecular formula of EINECS 251-198-2 is C30H54O8.
What is the molecular weight of EINECS 251-198-2?
The molecular weight of EINECS 251-198-2 is 542.38 g/mol.
Where can I buy EINECS 251-198-2?
You can request a quote for EINECS 251-198-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 251-198-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 251-198-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.