Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate
TL;DR: Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate (CAS 431986-90-2) is a chemical compound with molecular formula C11H13NO7S and molecular weight 303.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylsulfonyl-2-nitrophenoxy)acetate
Also Known As: ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate, ethyl 2-(4-methylsulfonyl-2-nitrophenoxy)acetate, Ethyl 2-(4-methylsulfonyl-2-nitro-phenoxy)acetate, ethyl2-(4-methanesulfonyl-2-nitrophenoxy)acetate
| Molecular Formula | C11H13NO7S |
|---|---|
| Molecular Weight | 303.04 g/mol |
| LogP | 0.9402 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.04126 |
| Heavy Atoms | 20 |
| Complexity | 623.6589 |
Chemical Identifiers
| CAS Number | 431986-90-2 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate (CAS 431986-90-2), with molecular formula C11H13NO7S and molecular weight 303.04 g/mol. IUPAC: ethyl 2-(4-methylsulfonyl-2-nitrophenoxy)acetate.
Chemical Property Profile of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate
Property Insights of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate
The XLogP value of 0.9402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate has 0 hydrogen bond donor(s) and 7 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 Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate?
The CAS number of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate is 431986-90-2.
What is the molecular formula of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate?
The molecular formula of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate is C11H13NO7S.
What is the molecular weight of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate?
The molecular weight of Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate is 303.04 g/mol.
Where can I buy Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate?
You can request a quote for Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-methanesulfonyl-2-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.