![Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- structure](/static/products/5446/54466-91-0.webp)
Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-
TL;DR: Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- (CAS 54466-91-0) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methoxy-2-phenyl-1H-indol-3-yl)sulfanyl]acetic acid
Also Known As: 2-((5-Methoxy-2-phenyl-1H-indol-3-yl)thio)acetic acid, Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-, AI-204/42879127, (5-methoxy-2-phenyl-indol-3-ylsulfanyl)-acetic acid, [(5-METHOXY-2-PHENYL-1H-INDOL-3-YL)SULFANYL]ACETIC ACID
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 4.0202 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 811.387 |
Chemical Identifiers
| CAS Number | 54466-91-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=C2SCC(=O)O)C3=CC=CC=C3 |
Product Overview
Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- (CAS 54466-91-0), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: 2-[(5-methoxy-2-phenyl-1H-indol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-
Property Insights of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-
The XLogP value of 4.0202 indicates that Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-. Following Lipinski's Rule of Five, Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- has 2 hydrogen bond donor(s) and 3 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 Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-?
The CAS number of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- is 54466-91-0.
What is the molecular formula of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-?
The molecular formula of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- is C17H15NO3S.
What is the molecular weight of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-?
The molecular weight of Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- is 313.08 g/mol.
Where can I buy Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-?
You can request a quote for Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.