Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
TL;DR: Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester (CAS 82560-39-2) is a chemical compound with molecular formula C19H25N3O5S and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-cyanoethyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
Also Known As: Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester, ethyl 2-[2-cyanoethyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate, Ethyl N-(2-cyanoethyl)-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinate, RefChem:346441
| Molecular Formula | C19H25N3O5S |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 3.17268 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.1515 |
| Heavy Atoms | 28 |
| Complexity | 762.4263 |
Chemical Identifiers
| CAS Number | 82560-39-2 |
|---|---|
| SMILES | CCOC(=O)CN(CCC#N)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
Product Overview
Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester (CAS 82560-39-2), with molecular formula C19H25N3O5S and molecular weight 407.15 g/mol. IUPAC: ethyl 2-[2-cyanoethyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate.
Chemical Property Profile of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
Property Insights of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
The XLogP value of 3.17268 indicates that Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester. Following Lipinski's Rule of Five, Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 8 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 Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
The CAS number of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is 82560-39-2.
What is the molecular formula of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
The molecular formula of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is C19H25N3O5S.
What is the molecular weight of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
The molecular weight of Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is 407.15 g/mol.
Where can I buy Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
You can request a quote for Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glycine, N-(2-cyanoethyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.