Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester
TL;DR: Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester (CAS 67845-41-4) is a chemical compound with molecular formula C63H114Br6O9 and molecular weight 1488.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5-bis(9,10-dibromooctadecanoyloxymethyl)-4-hydroxy-3-(hydroxymethyl)oxan-3-yl]methyl 9,10-dibromooctadecanoate
Also Known As: Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester, Octadecanoic acid, 9,10-dibromo-, 1,1',1''-((dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene)) ester, (4-Hydroxy-5-(hydroxymethyl)tetrahydro-2H-pyran-3,3,5-triyl)tris(methylene) tris(9,10-dibromooctadecanoate), [3,5-BIS({[(9,10-DIBROMOOCTADECANOYL)OXY]METHYL})-4-HYDROXY-5-(HYDROXYMETHYL)OXAN-3-YL]METHYL 9,10-DIBROMOOCTADECANOATE, [5,5-bis(9,10-dibromooctadecanoyloxymethyl)-4-hydroxy-3-(hydroxymethyl)oxan-3-yl]methyl 9,10-dibromooctadecanoate
| Molecular Formula | C63H114Br6O9 |
|---|---|
| Molecular Weight | 1488.36 g/mol |
| LogP | 19.9971 |
| Topological Polar Surface Area | 128.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 55 |
| Exact Mass | 1488.3563 |
| Heavy Atoms | 78 |
| Complexity | 1375.0728 |
Chemical Identifiers
| CAS Number | 67845-41-4 |
|---|---|
| SMILES | CCCCCCCCC(C(CCCCCCCC(=O)OCC1(COCC(C1O)(COC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)COC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br)CO)Br)Br |
Product Overview
Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester (CAS 67845-41-4), with molecular formula C63H114Br6O9 and molecular weight 1488.36 g/mol. IUPAC: [5,5-bis(9,10-dibromooctadecanoyloxymethyl)-4-hydroxy-3-(hydroxymethyl)oxan-3-yl]methyl 9,10-dibromooctadecanoate.
Chemical Property Profile of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester
Property Insights of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester
The XLogP value of 19.9971 indicates that Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester. Following Lipinski's Rule of Five, Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester?
The CAS number of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester is 67845-41-4.
What is the molecular formula of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester?
The molecular formula of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester is C63H114Br6O9.
What is the molecular weight of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester?
The molecular weight of Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester is 1488.36 g/mol.
Where can I buy Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester?
You can request a quote for Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 9,10-dibromo-, (dihydro-4-hydroxy-5-(hydroxymethyl)-2H-pyran-3,3,5(4H)-triyl)tris(methylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.