![3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid structure](/static/products/306/306746-12-3.png)
3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid
TL;DR: 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid (CAS 306746-12-3) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid
Also Known As: BAS 01507635, Propanoic acid, 3-(3-phenylthio-2-indolyl)-, 3-(3-(phenylthio)-1H-indol-2-yl)propanoic acid, 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid, 3-(3-Phenylsulfanyl-1H-indol-2-yl)-propionic acid
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 306746-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)CCC(=O)O |
| InChIKey | OOUCSMAWBDNISE-UHFFFAOYSA-N |
Product Overview
3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid (CAS 306746-12-3), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid.
Chemical Property Profile of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid
Property Insights of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid
The XLogP value of 3.9 indicates that 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid 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 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid?
The CAS number of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid is 306746-12-3.
What is the molecular formula of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid?
The molecular formula of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid is C17H15NO2S.
What is the molecular weight of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid?
The molecular weight of 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid is 297.08 g/mol.
Where can I buy 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid?
You can request a quote for 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.