Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
TL;DR: Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester (CAS 82560-30-3) is a chemical compound with molecular formula C20H30N2O5S and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
Also Known As: Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester, 2,3-dihydro-2,2-dimethylbenzofuran-7-yl N-(N-butyl-N-ethoxycarbonylmethylaminosulfenyl)-N-methyl-carbamate, ethyl 2-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate, Ethyl 2-[butyl-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-amino]acetate, Ethyl N-butyl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinate
| Molecular Formula | C20H30N2O5S |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 4.0591 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.18753 |
| Heavy Atoms | 28 |
| Complexity | 695.17365 |
Chemical Identifiers
| CAS Number | 82560-30-3 |
|---|---|
| SMILES | CCCCN(CC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
Product Overview
Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester (CAS 82560-30-3), with molecular formula C20H30N2O5S and molecular weight 410.19 g/mol. IUPAC: ethyl 2-[butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate.
Chemical Property Profile of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
Property Insights of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
The XLogP value of 4.0591 indicates that Glycine, N-butyl-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 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester. Following Lipinski's Rule of Five, Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester 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 Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
The CAS number of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is 82560-30-3.
What is the molecular formula of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
The molecular formula of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is C20H30N2O5S.
What is the molecular weight of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
The molecular weight of Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester is 410.19 g/mol.
Where can I buy Glycine, N-butyl-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester?
You can request a quote for Glycine, N-butyl-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-butyl-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-butyl-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.