6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
TL;DR: 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester (CAS 65907-47-3) is a chemical compound with molecular formula C17H26N2O4S and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-ethyl-N-[methyl-(3-propan-2-ylphenoxy)carbonylamino]sulfanylcarbamate
Also Known As: 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester, 4-Ethyl-2,7-dimethyl-5-oxo-6-oxa-3-thia-2,4-diazaoctanoic acid 3-(1-methylethyl)phenyl ester, Propan-2-yl ethyl[(methyl{[3-(propan-2-yl)phenoxy]carbonyl}amino)sulfanyl]carbamate, propan-2-yl N-ethyl-N-[methyl-(3-propan-2-ylphenoxy)carbonylamino]sulfanylcarbamate, BRN 2169614
| Molecular Formula | C17H26N2O4S |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 4.6707 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.16132 |
| Heavy Atoms | 24 |
| Complexity | 563.2764 |
Chemical Identifiers
| CAS Number | 65907-47-3 |
|---|---|
| SMILES | CCN(C(=O)OC(C)C)SN(C)C(=O)OC1=CC=CC(=C1)C(C)C |
Product Overview
6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester (CAS 65907-47-3), with molecular formula C17H26N2O4S and molecular weight 354.16 g/mol. IUPAC: propan-2-yl N-ethyl-N-[methyl-(3-propan-2-ylphenoxy)carbonylamino]sulfanylcarbamate.
Chemical Property Profile of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
Property Insights of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
The XLogP value of 4.6707 indicates that 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester has 0 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 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
The CAS number of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is 65907-47-3.
What is the molecular formula of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
The molecular formula of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is C17H26N2O4S.
What is the molecular weight of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
The molecular weight of 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is 354.16 g/mol.
Where can I buy 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
You can request a quote for 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl 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, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxa-3-thia-2,4-diazaoctanoic acid, 4-ethyl-2,7-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.