2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- (CAS 135420-39-2) is a chemical compound with molecular formula C16H21NO3S and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(ethylsulfanylmethyl)butanoyl]-4-methyl-1,4-benzoxazin-3-one
Also Known As: 7-(2-((Ethylthio)methyl)-1-oxobutyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-, 2H-1,4-Benzoxazin-3(4H)-one,7-[2-[(ethylthio)methyl]-1-oxobutyl]-4-methyl-, 7-[2-(ethylsulfanylmethyl)butanoyl]-4-methyl-1,4-benzoxazin-3-one, 7-{2-[(Ethylsulfanyl)methyl]butanoyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C16H21NO3S |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.0038 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.1242 |
| Heavy Atoms | 21 |
| Complexity | 544.32367 |
Chemical Identifiers
| CAS Number | 135420-39-2 |
|---|---|
| SMILES | CCC(CSCC)C(=O)C1=CC2=C(C=C1)N(C(=O)CO2)C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- (CAS 135420-39-2), with molecular formula C16H21NO3S and molecular weight 307.12 g/mol. IUPAC: 7-[2-(ethylsulfanylmethyl)butanoyl]-4-methyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-
The XLogP value of 3.0038 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- has 0 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 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- is 135420-39-2.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- is C16H21NO3S.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- is 307.12 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-(2-((ethylthio)methyl)-1-oxobutyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.