Acetochlor ESA
TL;DR: Acetochlor ESA (CAS 187022-11-3) is a chemical compound with molecular formula C14H21NO5S and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
Also Known As: Acetochlor esa, Acetochlor ethanesulfonic acid, Acetochlor ESA sodium salt, Acetochlor ethansulfonic acid, Acetochlor ESA Na-salt,Pestanal
| Molecular Formula | C14H21NO5S |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 1.77222 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.11404 |
| Heavy Atoms | 21 |
| Complexity | 597.38196 |
Chemical Identifiers
| CAS Number | 187022-11-3 |
|---|---|
| SMILES | CCC1=CC=CC(=C1N(COCC)C(=O)CS(=O)(=O)O)C |
Product Overview
Acetochlor ESA (CAS 187022-11-3), with molecular formula C14H21NO5S and molecular weight 315.11 g/mol. IUPAC: 2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid.
Chemical Property Profile of Acetochlor ESA
Property Insights of Acetochlor ESA
The XLogP value of 1.77222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetochlor ESA. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetochlor ESA. Following Lipinski's Rule of Five, Acetochlor ESA has 1 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 Acetochlor ESA?
The CAS number of Acetochlor ESA is 187022-11-3.
What is the molecular formula of Acetochlor ESA?
The molecular formula of Acetochlor ESA is C14H21NO5S.
What is the molecular weight of Acetochlor ESA?
The molecular weight of Acetochlor ESA is 315.11 g/mol.
Where can I buy Acetochlor ESA?
You can request a quote for Acetochlor ESA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetochlor ESA?
Yes, KEHONG BIO provides custom synthesis services for Acetochlor ESA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.