![[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate structure](/static/products/5651/565172-72-7.webp)
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
TL;DR: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CAS 565172-72-7) is a chemical compound with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
Also Known As: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate|2-[(2-Cyanoethyl)(phenyl)amino]-2-oxoethyl 4-(morpholine-4-sulfonyl)benzoate|MLS002246054|SMR001309679
| Molecular Formula | C22H23N3O6S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 1.81118 |
| Topological Polar Surface Area | 117.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.13077 |
| Heavy Atoms | 32 |
| Complexity | 1074.8993 |
Chemical Identifiers
| CAS Number | 565172-72-7 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 |
Product Overview
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CAS 565172-72-7), with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol. IUPAC: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
Chemical Property Profile of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
Property Insights of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
The XLogP value of 1.81118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate. The TPSA of 117.01 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate. Following Lipinski's Rule of Five, [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate 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 [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The CAS number of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is 565172-72-7.
What is the molecular formula of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The molecular formula of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is C22H23N3O6S.
What is the molecular weight of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The molecular weight of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is 457.13 g/mol.
Where can I buy [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
You can request a quote for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.