Empagliflozin Impurity N6
TL;DR: Empagliflozin Impurity N6 (CAS 333359-90-3) is a chemical compound with molecular formula C20H23ClO6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Empagliflozin Impurity N6, Dapagliflozin Impurity 31, Dapagliflozin Impurity 76, Empagliflozin Methyl Impurity, (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-D-glucitol
| Molecular Formula | C20H23ClO6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 1.4543 |
| Topological Polar Surface Area | 99.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.11832 |
| Heavy Atoms | 27 |
| Complexity | 763.5673 |
Chemical Identifiers
| CAS Number | 333359-90-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl |
Product Overview
Empagliflozin Impurity N6 (CAS 333359-90-3), with molecular formula C20H23ClO6 and molecular weight 394.12 g/mol. IUPAC: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Empagliflozin Impurity N6
Property Insights of Empagliflozin Impurity N6
The XLogP value of 1.4543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Empagliflozin Impurity N6. The TPSA of 99.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Empagliflozin Impurity N6. Following Lipinski's Rule of Five, Empagliflozin Impurity N6 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Empagliflozin Impurity N6?
The CAS number of Empagliflozin Impurity N6 is 333359-90-3.
What is the molecular formula of Empagliflozin Impurity N6?
The molecular formula of Empagliflozin Impurity N6 is C20H23ClO6.
What is the molecular weight of Empagliflozin Impurity N6?
The molecular weight of Empagliflozin Impurity N6 is 394.12 g/mol.
Where can I buy Empagliflozin Impurity N6?
You can request a quote for Empagliflozin Impurity N6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Empagliflozin Impurity N6?
Yes, KEHONG BIO provides custom synthesis services for Empagliflozin Impurity N6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.