依他尼酸钠
TL;DR: 依他尼酸钠 (CAS 6500-81-8) is a chemical compound with molecular formula C13H11Cl2O4- and molecular weight 301.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依他尼酸钠
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate
Also Known As: ethacrynate, Dihydroethacrynate, 3dgq, 3hjo, ETHACRYNIC ACID
| Molecular Formula | C13H11Cl2O4- |
|---|---|
| Molecular Weight | 301.00 g/mol |
| LogP | 2.271 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.00345 |
| Heavy Atoms | 19 |
| Complexity | 537.6899 |
Chemical Identifiers
| CAS Number | 6500-81-8 |
|---|---|
| SMILES | CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl |
Product Overview
依他尼酸钠 (CAS 6500-81-8), with molecular formula C13H11Cl2O4- and molecular weight 301.00 g/mol. IUPAC: 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate.
Chemical Property Profile of 依他尼酸钠
Property Insights of 依他尼酸钠
The XLogP value of 2.271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 依他尼酸钠. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 依他尼酸钠. Following Lipinski's Rule of Five, 依他尼酸钠 has 0 hydrogen bond donor(s) and 4 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 依他尼酸钠?
The CAS number of 依他尼酸钠 is 6500-81-8.
What is the molecular formula of 依他尼酸钠?
The molecular formula of 依他尼酸钠 is C13H11Cl2O4-.
What is the molecular weight of 依他尼酸钠?
The molecular weight of 依他尼酸钠 is 301.00 g/mol.
Where can I buy 依他尼酸钠?
You can request a quote for 依他尼酸钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依他尼酸钠?
Yes, KEHONG BIO provides custom synthesis services for 依他尼酸钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.