RefChem:478366
TL;DR: RefChem:478366 (CAS 68123-49-9) is a chemical compound with molecular formula C28H31Cl3O6 and molecular weight 568.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[4-[[2-(3-chloro-2-hydroxypropoxy)phenyl]-[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
Also Known As: aluminum tridocosan-1-ide, (2,4',4''-Tris(3-chloro-2-hydroxypropoxy)triphenyl)methane, 2-Propanol, 1,1'-[[[2-(3-chloro-2-hydroxypropoxy)phenyl]methylene]bis(4,1-phenyleneoxy)]bis[3-chloro-, 1-(2-{bis[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl}phenoxy)-3-chloropropan-2-ol, 1,1'-[[[2- phenyl]methylene]bis ]bis[3-chloropropan-2-ol]
| Molecular Formula | C28H31Cl3O6 |
|---|---|
| Molecular Weight | 568.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 568.11865 |
| Heavy Atoms | 37 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 68123-49-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C2=CC=C(C=C2)OCC(CCl)O)C3=CC=C(C=C3)OCC(CCl)O)OCC(CCl)O |
| InChIKey | SNPZTKHTBSJNJI-UHFFFAOYSA-N |
Product Overview
RefChem:478366 (CAS 68123-49-9), with molecular formula C28H31Cl3O6 and molecular weight 568.12 g/mol. IUPAC: 1-chloro-3-[4-[[2-(3-chloro-2-hydroxypropoxy)phenyl]-[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol.
Chemical Property Profile of RefChem:478366
Property Insights of RefChem:478366
The XLogP value of 5.1 indicates that RefChem:478366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:478366. Following Lipinski's Rule of Five, RefChem:478366 has 3 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 RefChem:478366?
The CAS number of RefChem:478366 is 68123-49-9.
What is the molecular formula of RefChem:478366?
The molecular formula of RefChem:478366 is C28H31Cl3O6.
What is the molecular weight of RefChem:478366?
The molecular weight of RefChem:478366 is 568.12 g/mol.
Where can I buy RefChem:478366?
You can request a quote for RefChem:478366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:478366?
Yes, KEHONG BIO provides custom synthesis services for RefChem:478366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.