RefChem:410683
TL;DR: RefChem:410683 (CAS 68834-06-0) is a chemical compound with molecular formula C27H50O9 and molecular weight 518.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-[2-(2-hydroxy-3-octadecoxypropoxy)-2-oxoethyl]butanedioic acid
Also Known As: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(2-hydroxy-3-(octadecyloxy)propyl) ester, 2-hydroxy-2-{2-[2-hydroxy-3-(octadecyloxy)propoxy]-2-oxoethyl}succinic acid, 2-HYDROXY-2-{2-[2-HYDROXY-3-(OCTADECYLOXY)PROPOXY]-2-OXOETHYL}BUTANEDIOIC ACID, 2-hydroxy-2-[2-(2-hydroxy-3-octadecoxypropoxy)-2-oxoethyl]butanedioic acid
| Molecular Formula | C27H50O9 |
|---|---|
| Molecular Weight | 518.35 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Exact Mass | 518.34546 |
| Heavy Atoms | 36 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 68834-06-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(COC(=O)CC(CC(=O)O)(C(=O)O)O)O |
| InChIKey | FMHPYOCVIKZCEV-UHFFFAOYSA-N |
Product Overview
RefChem:410683 (CAS 68834-06-0), with molecular formula C27H50O9 and molecular weight 518.35 g/mol. IUPAC: 2-hydroxy-2-[2-(2-hydroxy-3-octadecoxypropoxy)-2-oxoethyl]butanedioic acid.
Chemical Property Profile of RefChem:410683
Property Insights of RefChem:410683
The XLogP value of 6.4 indicates that RefChem:410683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:410683 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:410683 has 4 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 RefChem:410683?
The CAS number of RefChem:410683 is 68834-06-0.
What is the molecular formula of RefChem:410683?
The molecular formula of RefChem:410683 is C27H50O9.
What is the molecular weight of RefChem:410683?
The molecular weight of RefChem:410683 is 518.35 g/mol.
Where can I buy RefChem:410683?
You can request a quote for RefChem:410683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:410683?
Yes, KEHONG BIO provides custom synthesis services for RefChem:410683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.