2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate
TL;DR: 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate (CAS 956438-56-5) is a chemical compound with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate
Also Known As: 2-(5-chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate, 2-[(benzenesulfinyl)oxy]-N-[5-chloro-2-(morpholin-4-yl)phenyl]acetamide, 9R-1212, [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate
| Molecular Formula | C18H19ClN2O4S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.8545 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.0754 |
| Heavy Atoms | 26 |
| Complexity | 782.0155 |
Chemical Identifiers
| CAS Number | 956438-56-5 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)COS(=O)C3=CC=CC=C3 |
Product Overview
2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate (CAS 956438-56-5), with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol. IUPAC: [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate.
Chemical Property Profile of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate
Property Insights of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate
The XLogP value of 2.8545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate. Following Lipinski's Rule of Five, 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate 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 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate?
The CAS number of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate is 956438-56-5.
What is the molecular formula of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate?
The molecular formula of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate is C18H19ClN2O4S.
What is the molecular weight of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate?
The molecular weight of 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate is 394.08 g/mol.
Where can I buy 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate?
You can request a quote for 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.