6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
TL;DR: 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (CAS 65907-37-1) is a chemical compound with molecular formula C18H26N2O5S and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-propan-2-ylcarbamate
Also Known As: 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-benzofuran-7-yl) N-(ethoxycarbonyl-propan-2-yl-amino)sulfanyl-N-methyl-carbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(ethoxycarbonyl)(propan-2-yl)amino]sulfanyl}(methyl)carbamate, ethyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-propan-2-ylcarbamate, RefChem:309252
| Molecular Formula | C18H26N2O5S |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 4.2608 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.15625 |
| Heavy Atoms | 26 |
| Complexity | 677.54535 |
Chemical Identifiers
| CAS Number | 65907-37-1 |
|---|---|
| SMILES | CCOC(=O)N(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
Product Overview
6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (CAS 65907-37-1), with molecular formula C18H26N2O5S and molecular weight 382.16 g/mol. IUPAC: ethyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-propan-2-ylcarbamate.
Chemical Property Profile of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Property Insights of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
The XLogP value of 4.2608 indicates that 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl 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 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester. Following Lipinski's Rule of Five, 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester has 0 hydrogen bond donor(s) and 6 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 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
The CAS number of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is 65907-37-1.
What is the molecular formula of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
The molecular formula of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is C18H26N2O5S.
What is the molecular weight of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
The molecular weight of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester is 382.16 g/mol.
Where can I buy 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
You can request a quote for 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.