达格列净
TL;DR: 达格列净 (CAS 960404-48-2) is a chemical compound with molecular formula C21H25ClO6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
达格列净
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Dapagliflozin, Forxiga, Farxiga, dapagliflozine, Dapagliflozina
| Molecular Formula | C21H25ClO6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 1.8444 |
| Topological Polar Surface Area | 99.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13397 |
| Heavy Atoms | 28 |
| Complexity | 778.96533 |
Chemical Identifiers
| CAS Number | 960404-48-2 |
|---|---|
| SMILES | CCOC1=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
达格列净 (CAS 960404-48-2), with molecular formula C21H25ClO6 and molecular weight 408.13 g/mol. IUPAC: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 达格列净
Property Insights of 达格列净
The XLogP value of 1.8444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 达格列净. The TPSA of 99.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 达格列净. Following Lipinski's Rule of Five, 达格列净 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 达格列净?
The CAS number of 达格列净 is 960404-48-2.
What is the molecular formula of 达格列净?
The molecular formula of 达格列净 is C21H25ClO6.
What is the molecular weight of 达格列净?
The molecular weight of 达格列净 is 408.13 g/mol.
Where can I buy 达格列净?
You can request a quote for 达格列净 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 达格列净?
Yes, KEHONG BIO provides custom synthesis services for 达格列净 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.