Ethyl 4-(3-(p-tolylthio)propanamido)benzoate
TL;DR: Ethyl 4-(3-(p-tolylthio)propanamido)benzoate (CAS 663165-49-9) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate
Also Known As: ethyl 4-(3-(p-tolylthio)propanamido)benzoate, ethyl 4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate, ETHYL 4-{3-[(4-METHYLPHENYL)SULFANYL]PROPANAMIDO}BENZOATE, F2537-0453, ethyl 4-({3-[(4-methylphenyl)sulfanyl]propanoyl}amino)benzoate
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 4.29262 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 680.763 |
Chemical Identifiers
| CAS Number | 663165-49-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)C |
Product Overview
Ethyl 4-(3-(p-tolylthio)propanamido)benzoate (CAS 663165-49-9), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: ethyl 4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate
Property Insights of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate
The XLogP value of 4.29262 indicates that Ethyl 4-(3-(p-tolylthio)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(3-(p-tolylthio)propanamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-(p-tolylthio)propanamido)benzoate has 1 hydrogen bond donor(s) and 4 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 Ethyl 4-(3-(p-tolylthio)propanamido)benzoate?
The CAS number of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate is 663165-49-9.
What is the molecular formula of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate?
The molecular formula of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate is C19H21NO3S.
What is the molecular weight of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate?
The molecular weight of Ethyl 4-(3-(p-tolylthio)propanamido)benzoate is 343.12 g/mol.
Where can I buy Ethyl 4-(3-(p-tolylthio)propanamido)benzoate?
You can request a quote for Ethyl 4-(3-(p-tolylthio)propanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-(p-tolylthio)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(p-tolylthio)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.