EINECS 261-323-2
TL;DR: EINECS 261-323-2 (CAS 58552-97-9) is a chemical compound with molecular formula C77H132O8 and molecular weight 1184.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]-2-[[(9E,12E)-octadeca-9,12-dienoyl]oxymethyl]propyl] (9Z,12Z)-octadeca-9,12-dienoate
Also Known As: EINECS 261-323-2, (2,4-DICHLORO-6-METHYLPHENOXY)ACETYL CHLORIDE, (9Z,12Z)-2,2-Bis(((1-oxooctadeca-9,12-dienyl)oxy)methyl)propane-1,3-diyl bis((9Z,12Z)-octadeca-9,12-dienoate), [3-octadeca-9,12-dienoyloxy-2,2-bis(octadeca-9,12-dienoyloxymethyl)propyl] octadeca-9,12-dienoate, (9Z,12Z)-2,2-BIS[[(1-OXOOCTADECA-9,12-DIENYL)OXY]METHYL]PROPANE-1,3-DIYL BIS[(9Z,12Z)-OCTADECA-9,12-DIENOATE]
| Molecular Formula | C77H132O8 |
|---|---|
| Molecular Weight | 1184.99 g/mol |
| LogP | 23.3996 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 64 |
| Exact Mass | 1184.9922 |
| Heavy Atoms | 85 |
| Complexity | 1493.0204 |
Chemical Identifiers
| CAS Number | 58552-97-9 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
Product Overview
EINECS 261-323-2 (CAS 58552-97-9), with molecular formula C77H132O8 and molecular weight 1184.99 g/mol. IUPAC: [3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]-2-[[(9E,12E)-octadeca-9,12-dienoyl]oxymethyl]propyl] (9Z,12Z)-octadeca-9,12-dienoate.
Chemical Property Profile of EINECS 261-323-2
Property Insights of EINECS 261-323-2
The XLogP value of 23.3996 indicates that EINECS 261-323-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 261-323-2. Following Lipinski's Rule of Five, EINECS 261-323-2 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 261-323-2?
The CAS number of EINECS 261-323-2 is 58552-97-9.
What is the molecular formula of EINECS 261-323-2?
The molecular formula of EINECS 261-323-2 is C77H132O8.
What is the molecular weight of EINECS 261-323-2?
The molecular weight of EINECS 261-323-2 is 1184.99 g/mol.
Where can I buy EINECS 261-323-2?
You can request a quote for EINECS 261-323-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-323-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-323-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.