![Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate structure](/static/products/277/27781-44-8.png)
Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate
TL;DR: Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate (CAS 27781-44-8) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate
Also Known As: N-(toluene-4-sulfonyl)-glycine cyanomethyl ester, cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 0.3401 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 557.7012 |
Chemical Identifiers
| CAS Number | 27781-44-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC#N |
Product Overview
Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate (CAS 27781-44-8), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate.
Chemical Property Profile of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate
Property Insights of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate
The XLogP value of 0.3401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate. Following Lipinski's Rule of Five, Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate 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 Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The CAS number of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate is 27781-44-8.
What is the molecular formula of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The molecular formula of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate is C11H12N2O4S.
What is the molecular weight of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The molecular weight of Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate is 268.05 g/mol.
Where can I buy Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
You can request a quote for Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl 2-[(4-methylphenyl)sulfonylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.