![3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester structure](/static/products/329/329209-37-2.png)
3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
TL;DR: 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester (CAS 329209-37-2) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate
Also Known As: TimTec1_000066, methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate, BAS 01507351, methyl 3-(3-phenylthioindol-2-yl)propanoate, 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 329209-37-2 |
|---|---|
| SMILES | COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3 |
| InChIKey | LZSQQWLNWAMWTO-UHFFFAOYSA-N |
Product Overview
3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester (CAS 329209-37-2), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate.
Chemical Property Profile of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
Property Insights of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
The XLogP value of 4.2 indicates that 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester. Following Lipinski's Rule of Five, 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester has 1 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-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester?
The CAS number of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester is 329209-37-2.
What is the molecular formula of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester?
The molecular formula of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester is C18H17NO2S.
What is the molecular weight of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester?
The molecular weight of 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester is 311.10 g/mol.
Where can I buy 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester?
You can request a quote for 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.