Cyanomethyl (benzoylamino)acetate
TL;DR: Cyanomethyl (benzoylamino)acetate (CAS 4816-94-8) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 2-benzamidoacetate
Also Known As: cyanomethyl (benzoylamino)acetate, cyanomethyl 2-benzamidoacetate, CYANOMETHYL 2-(PHENYLFORMAMIDO)ACETATE, Cyanomethyl N-benzoylglycinate, CYANOMETHYL(BENZOYLAMINO)ACETATE
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.48318 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 408.98788 |
Chemical Identifiers
| CAS Number | 4816-94-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)OCC#N |
Product Overview
Cyanomethyl (benzoylamino)acetate (CAS 4816-94-8), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: cyanomethyl 2-benzamidoacetate.
Chemical Property Profile of Cyanomethyl (benzoylamino)acetate
Property Insights of Cyanomethyl (benzoylamino)acetate
The XLogP value of 0.48318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl (benzoylamino)acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanomethyl (benzoylamino)acetate. Following Lipinski's Rule of Five, Cyanomethyl (benzoylamino)acetate 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 Cyanomethyl (benzoylamino)acetate?
The CAS number of Cyanomethyl (benzoylamino)acetate is 4816-94-8.
What is the molecular formula of Cyanomethyl (benzoylamino)acetate?
The molecular formula of Cyanomethyl (benzoylamino)acetate is C11H10N2O3.
What is the molecular weight of Cyanomethyl (benzoylamino)acetate?
The molecular weight of Cyanomethyl (benzoylamino)acetate is 218.07 g/mol.
Where can I buy Cyanomethyl (benzoylamino)acetate?
You can request a quote for Cyanomethyl (benzoylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl (benzoylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl (benzoylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.