![2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid structure](/static/products/7214/721406-63-9.webp)
2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid (CAS 721406-63-9) is a chemical compound with molecular formula C17H13NO5S and molecular weight 343.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid
Also Known As: 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid, 2-[2-Oxo-2-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-ethylsulfanyl]-benzoic acid, 2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid, 2-((2-Oxo-2-(3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazin-6-yl)ethyl)thio)benzoic acid, 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoicacid
| Molecular Formula | C17H13NO5S |
|---|---|
| Molecular Weight | 343.05 g/mol |
| LogP | 2.6907 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.05145 |
| Heavy Atoms | 24 |
| Complexity | 833.48065 |
Chemical Identifiers
| CAS Number | 721406-63-9 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=CC=CC=C3C(=O)O |
Product Overview
2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid (CAS 721406-63-9), with molecular formula C17H13NO5S and molecular weight 343.05 g/mol. IUPAC: 2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid
The XLogP value of 2.6907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid has 2 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 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid is 721406-63-9.
What is the molecular formula of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid is C17H13NO5S.
What is the molecular weight of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid is 343.05 g/mol.
Where can I buy 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.