![methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate structure](/static/products/3292/329209-35-0.webp)
methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate
TL;DR: methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate (CAS 329209-35-0) is a chemical compound with molecular formula C20H21NO2S and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[7-methyl-3-(4-methylphenyl)sulfanyl-1H-indol-2-yl]propanoate
Also Known As: methyl 3-(7-methyl-3-(p-tolylthio)-1H-indol-2-yl)propanoate, methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate, methyl 3-[7-methyl-3-(4-methylphenylthio)indol-2-yl]propanoate, methyl 3-[7-methyl-3-(4-methylphenyl)sulfanyl-1H-indol-2-yl]propanoate
| Molecular Formula | C20H21NO2S |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1293 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 329209-35-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(NC3=C(C=CC=C32)C)CCC(=O)OC |
| InChIKey | FATOODHMUGSNSC-UHFFFAOYSA-N |
Product Overview
methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate (CAS 329209-35-0), with molecular formula C20H21NO2S and molecular weight 339.13 g/mol. IUPAC: methyl 3-[7-methyl-3-(4-methylphenyl)sulfanyl-1H-indol-2-yl]propanoate.
Chemical Property Profile of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate
Property Insights of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate
The XLogP value of 5.0 indicates that methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate 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 methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate. Following Lipinski's Rule of Five, methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate 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 methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate?
The CAS number of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate is 329209-35-0.
What is the molecular formula of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate?
The molecular formula of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate is C20H21NO2S.
What is the molecular weight of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate?
The molecular weight of methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate is 339.13 g/mol.
Where can I buy methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate?
You can request a quote for methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{7-methyl-3-[(4-methylphenyl)sulfanyl]-1H-indol-2-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.