alachlor ESA
TL;DR: alachlor ESA (CAS 142363-53-9) 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-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethanesulfonic acid
Also Known As: Alachlor ESA, alachlor TP1, Alachlor metabolite, alachlor ethanesulfonic acid, alachlor ethane sulphonate
| Molecular Formula | C14H21NO5S |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.11404 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 142363-53-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O |
| InChIKey | UTCJUUGCHWHUNI-UHFFFAOYSA-N |
Product Overview
alachlor ESA (CAS 142363-53-9), with molecular formula C14H21NO5S and molecular weight 315.11 g/mol. IUPAC: 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethanesulfonic acid.
Chemical Property Profile of alachlor ESA
Property Insights of alachlor ESA
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alachlor ESA. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for alachlor ESA. Following Lipinski's Rule of Five, alachlor ESA has 1 hydrogen bond donor(s) and 5 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 alachlor ESA?
The CAS number of alachlor ESA is 142363-53-9.
What is the molecular formula of alachlor ESA?
The molecular formula of alachlor ESA is C14H21NO5S.
What is the molecular weight of alachlor ESA?
The molecular weight of alachlor ESA is 315.11 g/mol.
Where can I buy alachlor ESA?
You can request a quote for alachlor ESA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alachlor ESA?
Yes, KEHONG BIO provides custom synthesis services for alachlor ESA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.