Mdl 20828
TL;DR: Mdl 20828 (CAS 98911-25-2) is a chemical compound with molecular formula C20H20Cl3NO8 and molecular weight 507.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(2,4,6-trichlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
Also Known As: Mdl 20828, 1-((Acetyl(4-(2,4,6-trichlorophenoxy)phenyl)amino)oxy)-1-deoxy-beta-D-glucopyranose, 1-O-{Acetyl[4-(2,4,6-trichlorophenoxy)phenyl]amino}hexopyranose, beta-D-Glucopyranose, 1-((acetyl(4-(2,4,6-trichlorophenoxy)phenyl)amino)oxy)-1-deoxy-, 1-O-{N-[4-(2,4,6-Trichlorophenoxy)phenyl]acetamido}-beta-D-glucopyranose
| Molecular Formula | C20H20Cl3NO8 |
|---|---|
| Molecular Weight | 507.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.02545 |
| Heavy Atoms | 32 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 98911-25-2 |
|---|---|
| SMILES | CC(=O)N(C1=CC=C(C=C1)OC2=C(C=C(C=C2Cl)Cl)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | CRBVPBWKFPBNRY-NUABRCLCSA-N |
Product Overview
Mdl 20828 (CAS 98911-25-2), with molecular formula C20H20Cl3NO8 and molecular weight 507.03 g/mol. IUPAC: N-[4-(2,4,6-trichlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide.
Chemical Property Profile of Mdl 20828
Property Insights of Mdl 20828
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 20828. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 20828. Following Lipinski's Rule of Five, Mdl 20828 has 4 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 Mdl 20828?
The CAS number of Mdl 20828 is 98911-25-2.
What is the molecular formula of Mdl 20828?
The molecular formula of Mdl 20828 is C20H20Cl3NO8.
What is the molecular weight of Mdl 20828?
The molecular weight of Mdl 20828 is 507.03 g/mol.
Where can I buy Mdl 20828?
You can request a quote for Mdl 20828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 20828?
Yes, KEHONG BIO provides custom synthesis services for Mdl 20828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.