![2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid structure](/static/products/5407/540773-86-2.webp)
2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid (CAS 540773-86-2) is a chemical compound with molecular formula C21H15NO3S2 and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzoic acid
Also Known As: 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid, 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzoic acid, 2-(2-Oxo-2-phenothiazin-10-yl-ethylsulfanyl)-benzoic acid, 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylbenzoic Acid, 2-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]thio]-Benzoic acid
| Molecular Formula | C21H15NO3S2 |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 5.3064 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.04935 |
| Heavy Atoms | 27 |
| Complexity | 989.6951 |
Chemical Identifiers
| CAS Number | 540773-86-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 |
Product Overview
2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid (CAS 540773-86-2), with molecular formula C21H15NO3S2 and molecular weight 393.05 g/mol. IUPAC: 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid
The XLogP value of 5.3064 indicates that 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid is 540773-86-2.
What is the molecular formula of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid is C21H15NO3S2.
What is the molecular weight of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid is 393.05 g/mol.
Where can I buy 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-oxo-2-(10H-phenothiazin-10-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-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.